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
"5-Phenylvaleric Acid";MM00097;PSKIN;EPAM;0;25;;;;;;;;;;-4.1;;;"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"
"5-Phenylvaleric Acid";MM00097;DOPC;EPHT;0;25;;;;;;;;3.17;;;;;"Avdeef A, Box KJ, Comer JE, Hibbert C, Tam KY.: pH-metric logP 10. Determination of liposomal membrane-water partition coefficients of ionizable drugs. Pharm Res, Volume 15 (2), 209-215, 1998"
"5-Phenylvaleric Acid";MM00097;DOPC;EPHT;-1;25;;;;;;;;1.66;;;;;"Avdeef A, Box KJ, Comer JE, Hibbert C, Tam KY.: pH-metric logP 10. Determination of liposomal membrane-water partition coefficients of ionizable drugs. Pharm Res, Volume 15 (2), 209-215, 1998"
"5-Phenylvaleric Acid";MM00097;1-octanol;XLOGP3;;;;;;;;;;2.7;;;;;"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"
"5-Phenylvaleric Acid";MM00097;DMPC;CCM18;0;25;;;;;;;;2.86;;0.08;;;"in-house calculations"
"5-Phenylvaleric Acid";MM00097;DMPC;CCM18;-1;25;;;;;;;;0.77;;-27.34;;;"in-house calculations"
"5-Phenylvaleric Acid";MM00097;PSKIN;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/310933  target=_blank>310933</a>";;;;;;;;;-4.1;;;"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"