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ChemAxon LLC logp predicted by
Logp Predicted By, supplied by ChemAxon LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/values/logp+values/pmc09862396-25-9-9
Average 90 stars, based on 1 article reviews
logp predicted by - by Bioz Stars, 2026-11
90/100 stars

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Molecular Weight:

Article Title: 2-Aminomethyl phenothiazine, its alkyl and triphenylphosphonium derivatives suppress erastin-induced ferroptosis in BT-474 cells but exhibit distinct cytotoxic activities.
Article Snippet: This work demonstrates the antiferroptotic and cytotoxic effects of 2-aminomethyl phenothiazine (PTZ-NH2), and its alkyl derivative (PTZ-capryl) and mitochondria-targeted triphenylphosphonium conjugate (PTZ-TPP) on BT-474 cells, as well as their effects on isolated rat liver mitochondria.. It was found that all studied compounds at 0.5 and 1 μM concentrations have a protective effect in the erastin-induced ferroptosis model.. This effect of the tested compounds may be associated with the elimination of ROS overproduction in erastin-treated cells.

Article Title: Read-Across of Biotransformation Potential between Activated Sludge and the Terrestrial Environment: Toward Making It Practical and Plausible
Article Snippet: The model uses data from the 2018-summer experiment and either exp experimental log Koc from OECD 106, predicted log Koc from OPERA, experimental log P from OECD 107 or logP predicted with ChemAxon

Article Title: Selective Encapsulation of the Polyphenols on Silk Fibroin Nanoparticles: Optimization Approaches.
Article Snippet: Details on the polyphenolic compounds from the polyphenolic mixture (PFmix) concerning molecular weight and calculated logP (ChemAxon) are summarized in Table 3.

Article Title: Complementary methods for structural assignment of isomeric candidate structures in non-target liquid chromatography ion mobility high-resolution mass spectrometric analysis.
Article Snippet: The logP values were estimated with ChemAxon [34] and molecular descriptors with PaDEL descriptor calculator [35].

Article Title: Machine learning-driven insights into retention mechanism in IAM chromatography of anticancer sulfonamides: Implications for biological efficacy.
Article Snippet: Machine learning (ML) tools offer new opportunities in drug discovery, especially for enhancing our understanding of molecular interactions with biological systems.. This study develops a comprehensive quantitative structure-retention relationship (QSRR) model to elucidate sulfonamides’ binding mechanisms to phospholipids via immobilized artificial membrane (IAM) chromatography.. Using a dataset of over 500 sulfonamide derivatives, we combined experimental IAM-HPLC data with computational molecular descriptors and ML techniques, achieving robust predictive models.

Article Title: Physiologically based Kinetic Modeling-Facilitated Quantitative In Vitro to In Vivo Extrapolation to Predict the Effects of Aloe-Emodin in Rats and Humans
Article Snippet: Aloe-emodin Rhein Molecular weight (g/mol) 270.24 284.22 LogP (predicted by ChemAxon) 2.84 3.27 PKa (predicted by ChemAxon) 7.80; 8.46 3.40; 7.89; 8.54 Blood plasma ratio 0.55 0.95 (rat); 0.96 (human) Tissue:blood partition coefficients Fat 6.42 0.14 Liver 1.89 0.33 (rat); 0.32 (human) Kidney 1.85 0.41 Rapidly perfused tissues 2.44 0.39 Slowly perfused tissues 2.77 0.34 Table S3.

Article Title: Read-Across of Biotransformation Potential between Activated Sludge and the Terrestrial Environment: Toward Making It Practical and Plausible
Article Snippet: The model uses data from the 2018-summer experiment and either exp 219 S7 experimental log Koc from OECD 106, predicted log Koc from OPERA, experimental log P 220 from OECD 107 or logP predicted with ChemAxon .................................................................. 105 221 Table S14.

Clinical Proteomics:

Article Title: 2-Aminomethyl phenothiazine, its alkyl and triphenylphosphonium derivatives suppress erastin-induced ferroptosis in BT-474 cells but exhibit distinct cytotoxic activities.
Article Snippet: This work demonstrates the antiferroptotic and cytotoxic effects of 2-aminomethyl phenothiazine (PTZ-NH2), and its alkyl derivative (PTZ-capryl) and mitochondria-targeted triphenylphosphonium conjugate (PTZ-TPP) on BT-474 cells, as well as their effects on isolated rat liver mitochondria.. It was found that all studied compounds at 0.5 and 1 μM concentrations have a protective effect in the erastin-induced ferroptosis model.. This effect of the tested compounds may be associated with the elimination of ROS overproduction in erastin-treated cells.

Article Title: Read-Across of Biotransformation Potential between Activated Sludge and the Terrestrial Environment: Toward Making It Practical and Plausible
Article Snippet: The model uses data from the 2018-summer experiment and either exp experimental log Koc from OECD 106, predicted log Koc from OPERA, experimental log P from OECD 107 or logP predicted with ChemAxon

Article Title: Selective Encapsulation of the Polyphenols on Silk Fibroin Nanoparticles: Optimization Approaches.
Article Snippet: Details on the polyphenolic compounds from the polyphenolic mixture (PFmix) concerning molecular weight and calculated logP (ChemAxon) are summarized in Table 3.

Article Title: Complementary methods for structural assignment of isomeric candidate structures in non-target liquid chromatography ion mobility high-resolution mass spectrometric analysis.
Article Snippet: The logP values were estimated with ChemAxon [34] and molecular descriptors with PaDEL descriptor calculator [35].

Article Title: Machine learning-driven insights into retention mechanism in IAM chromatography of anticancer sulfonamides: Implications for biological efficacy.
Article Snippet: Machine learning (ML) tools offer new opportunities in drug discovery, especially for enhancing our understanding of molecular interactions with biological systems.. This study develops a comprehensive quantitative structure-retention relationship (QSRR) model to elucidate sulfonamides’ binding mechanisms to phospholipids via immobilized artificial membrane (IAM) chromatography.. Using a dataset of over 500 sulfonamide derivatives, we combined experimental IAM-HPLC data with computational molecular descriptors and ML techniques, achieving robust predictive models.

Article Title: Physiologically based Kinetic Modeling-Facilitated Quantitative In Vitro to In Vivo Extrapolation to Predict the Effects of Aloe-Emodin in Rats and Humans
Article Snippet: Aloe-emodin Rhein Molecular weight (g/mol) 270.24 284.22 LogP (predicted by ChemAxon) 2.84 3.27 PKa (predicted by ChemAxon) 7.80; 8.46 3.40; 7.89; 8.54 Blood plasma ratio 0.55 0.95 (rat); 0.96 (human) Tissue:blood partition coefficients Fat 6.42 0.14 Liver 1.89 0.33 (rat); 0.32 (human) Kidney 1.85 0.41 Rapidly perfused tissues 2.44 0.39 Slowly perfused tissues 2.77 0.34 Table S3.

Article Title: Read-Across of Biotransformation Potential between Activated Sludge and the Terrestrial Environment: Toward Making It Practical and Plausible
Article Snippet: The model uses data from the 2018-summer experiment and either exp 219 S7 experimental log Koc from OECD 106, predicted log Koc from OPERA, experimental log P 220 from OECD 107 or logP predicted with ChemAxon .................................................................. 105 221 Table S14.

Fat:

Article Title: 2-Aminomethyl phenothiazine, its alkyl and triphenylphosphonium derivatives suppress erastin-induced ferroptosis in BT-474 cells but exhibit distinct cytotoxic activities.
Article Snippet: This work demonstrates the antiferroptotic and cytotoxic effects of 2-aminomethyl phenothiazine (PTZ-NH2), and its alkyl derivative (PTZ-capryl) and mitochondria-targeted triphenylphosphonium conjugate (PTZ-TPP) on BT-474 cells, as well as their effects on isolated rat liver mitochondria.. It was found that all studied compounds at 0.5 and 1 μM concentrations have a protective effect in the erastin-induced ferroptosis model.. This effect of the tested compounds may be associated with the elimination of ROS overproduction in erastin-treated cells.

Article Title: Read-Across of Biotransformation Potential between Activated Sludge and the Terrestrial Environment: Toward Making It Practical and Plausible
Article Snippet: The model uses data from the 2018-summer experiment and either exp experimental log Koc from OECD 106, predicted log Koc from OPERA, experimental log P from OECD 107 or logP predicted with ChemAxon

Article Title: Selective Encapsulation of the Polyphenols on Silk Fibroin Nanoparticles: Optimization Approaches.
Article Snippet: Details on the polyphenolic compounds from the polyphenolic mixture (PFmix) concerning molecular weight and calculated logP (ChemAxon) are summarized in Table 3.

Article Title: Complementary methods for structural assignment of isomeric candidate structures in non-target liquid chromatography ion mobility high-resolution mass spectrometric analysis.
Article Snippet: The logP values were estimated with ChemAxon [34] and molecular descriptors with PaDEL descriptor calculator [35].

Article Title: Machine learning-driven insights into retention mechanism in IAM chromatography of anticancer sulfonamides: Implications for biological efficacy.
Article Snippet: Machine learning (ML) tools offer new opportunities in drug discovery, especially for enhancing our understanding of molecular interactions with biological systems.. This study develops a comprehensive quantitative structure-retention relationship (QSRR) model to elucidate sulfonamides’ binding mechanisms to phospholipids via immobilized artificial membrane (IAM) chromatography.. Using a dataset of over 500 sulfonamide derivatives, we combined experimental IAM-HPLC data with computational molecular descriptors and ML techniques, achieving robust predictive models.

Article Title: Physiologically based Kinetic Modeling-Facilitated Quantitative In Vitro to In Vivo Extrapolation to Predict the Effects of Aloe-Emodin in Rats and Humans
Article Snippet: Aloe-emodin Rhein Molecular weight (g/mol) 270.24 284.22 LogP (predicted by ChemAxon) 2.84 3.27 PKa (predicted by ChemAxon) 7.80; 8.46 3.40; 7.89; 8.54 Blood plasma ratio 0.55 0.95 (rat); 0.96 (human) Tissue:blood partition coefficients Fat 6.42 0.14 Liver 1.89 0.33 (rat); 0.32 (human) Kidney 1.85 0.41 Rapidly perfused tissues 2.44 0.39 Slowly perfused tissues 2.77 0.34 Table S3.

Article Title: Read-Across of Biotransformation Potential between Activated Sludge and the Terrestrial Environment: Toward Making It Practical and Plausible
Article Snippet: The model uses data from the 2018-summer experiment and either exp 219 S7 experimental log Koc from OECD 106, predicted log Koc from OPERA, experimental log P 220 from OECD 107 or logP predicted with ChemAxon .................................................................. 105 221 Table S14.



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