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
4-Phenylbutylamine;MM00096;DOPC;EPAMOL;0;25;;;;;;;;;;-2.13;;;"Huque FT, Box K, Platts JA, Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. Eur J Pharm Sci, Volume 23 (3), 223-232, 2004"
4-Phenylbutylamine;MM00096;1-octanol;XLOGP3;;;;;;;;;;2.4;;;;;"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"
4-Phenylbutylamine;MM00096;DOPC;CCM18;0;25;;1.06;;2.32;;5.41;;2.72;;;;;"in-house calculations"
4-Phenylbutylamine;MM00096;n-HEX;CCM18;0;25;;2.15;;2.88;;4.91;;2.52;;;;;"in-house calculations"
4-Phenylbutylamine;MM00096;DMPC;CCM18;0;25;;1.05;;2.47;;5.46;;2.78;;;;;"in-house calculations"
4-Phenylbutylamine;MM00096;DOPC;CCM18;0;25;;;;;;;;;;-0.59;;;"in-house calculations"
4-Phenylbutylamine;MM00096;LEC;CPMM;0;25;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.39;;;"Lomize AL,Hage JM, Schnitzer K, Golobokov K, LaFaive MB, Forsyth AC, Pogozheva ID: PerMM: A Web Tool and Database for Analysis of Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J. Chem. Inf. Model. 59(7), 3094-3099, 2019"
4-Phenylbutylamine;MM00096;LEC;CPMM;+1;25;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.84;;;"Lomize AL,Hage JM, Schnitzer K, Golobokov K, LaFaive MB, Forsyth AC, Pogozheva ID: PerMM: A Web Tool and Database for Analysis of Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J. Chem. Inf. Model. 59(7), 3094-3099, 2019"
4-Phenylbutylamine;MM00096;DMPC;CCM18;1;25;;;;;;;;4.04;;-10.82;;;"in-house calculations"