substance;substance_identifier;membrane;method;charge;temperature;note;x_min;x_min_acc;g_pen;g_pen_acc;g_wat;g_wat_acc;log_k;log_k_acc;log_perm;log_perm_acc;primary_publication;secondary_publication
Phenol;MM00206;DMPC;CCM15;0;25;;1.051;;2.743;;2.895;;1.692;;;;;"in-house calculations"
Phenol;MM00206;DOPC;CCM15;0;25;;1.136;;2.564;;2.989;;1.672;;;;;"in-house calculations"
Phenol;MM00206;"SC mix";CCM15;0;25;;2.065;;2.734;;2.511;;1.201;;;;;"in-house calculations"
Phenol;MM00206;LEC;EPAM;0;25;;;;;;;;;;-4.33;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Phenol;MM00206;PSKIN;EPAM;0;25;;;;;;;;;;-4.14;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Phenol;MM00206;1-octanol;XLOGP3;;;;;;;;;;1.5;;;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Phenol;MM00206;DMPC;CCM18;0;25;;;;;;;;1.13;;-0.87;;;"in-house calculations"
Phenol;MM00206;DMPC;CCM18;-1;25;;;;;;;;0.98;;-27.69;;;"in-house calculations"
Phenol;MM00206;PSKIN;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/266761  target=_blank>266761</a>";;;;;;;;;-4.53;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Phenol;MM00206;PSKIN;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/266762  target=_blank>266762</a>";;;;;;;;;-4;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Phenol;MM00206;PSKIN;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/266765  target=_blank>266765</a>";;;;;;;;;-4.14;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Phenol;MM00206;PSKIN;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/310933  target=_blank>310933</a>";;;;;;;;;-4.14;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Phenol;MM00206;PL-A;EPAM;;25;"pH 7,3";;;;;;;;;-4.33;4.98;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"