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
"Benzoic Acid";MM00630;DMPC;CCM15;0;25;;1.051;;3.17;;3.119;;1.833;;;;;"in-house calculations"
"Benzoic Acid";MM00630;DOPC;CCM15;0;25;;1.136;;2.899;;3.177;;1.775;;;;;"in-house calculations"
"Benzoic Acid";MM00630;"SC mix";CCM15;0;25;;2.065;;3.538;;2.741;;1.38;;;;;"in-house calculations"
"Benzoic Acid";MM00630;PSKIN;EPAM;0;25;;;;;;;;;;-4.21;;;"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"
"Benzoic Acid";MM00630;DOPC;CCM18;0;25;;1.28;;3.87;;2.64;;1.3;;-0.77;;;"in-house calculations"
"Benzoic Acid";MM00630;n-HEX;EPAMOL;;25;;;;;;;;;;-4.52;;;"Avdeef A, Tsinman O.: PAMPA--a drug absorption in vitro model 13. Chemical selectivity due to membrane hydrogen bonding: in combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur J Pharm Sci, Volume 28 (1-2), 43-50, 2006"
"Benzoic Acid";MM00630;1-octanol;XLOGP3;;;;;;;;;;1.9;;;;;"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"
"Benzoic Acid";MM00630;DOPC;CCM18;0;25;;1.28;;3.82;;2.67;;1.33;;;;;"in-house calculations"
"Benzoic Acid";MM00630;n-HEX;CCM18;0;25;;2.28;;3.96;;2.39;;0.72;;;;;"in-house calculations"
"Benzoic Acid";MM00630;DMPC;CCM18;0;25;;1.24;;3.19;;2.67;;1.43;;;;;"in-house calculations"
"Benzoic Acid";MM00630;EggPC;EBLM;;25;;;;;;;;;;-0.24;;;"Lomize AL, Pogozheva ID: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Benzoic Acid";MM00630;CACO;CPMM;;25;"PerMM web server";;;;;;;;;-3.59;;;"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"
"Benzoic Acid";MM00630;DOPC;CCM18;-1;25;;;;;;;;;;-28.15;;;"in-house calculations"
"Benzoic Acid";MM00630;LEC;CPMM;0;25;"PerMM web server";;;;;;;;;-0.43;;;"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"
"Benzoic Acid";MM00630;LEC;CPMM;-1;25;"pH=7.4 ,PerMM web server";;;;;;;;;-3.64;;;"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"
"Benzoic Acid";MM00630;PSKIN;EPAM;0;25;"310933";;;;;;;;;-4.21;;;"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"