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
"3-Phenylpropionic Acid";MM00605;1-octanol;XLOGP3;;;;;;;;;;1.8;;;;;"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"
"3-Phenylpropionic Acid";MM00605;DOPC;CCM18;0;25;;1.21;;3.55;;3.72;;1.81;;;;;"in-house calculations"
"3-Phenylpropionic Acid";MM00605;n-HEX;CCM18;0;25;;2.28;;3.89;;3.21;;1.3;;;;;"in-house calculations"
"3-Phenylpropionic Acid";MM00605;DMPC;CCM18;0;25;;1.18;;3.06;;3.83;;1.94;;;;;"in-house calculations"
"3-Phenylpropionic Acid";MM00605;DOPC;CCM18;0;25;;;;;;;;;;-0.47;;;"in-house calculations"
"3-Phenylpropionic Acid";MM00605;LEC;CPMM;0;25;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.13;;;"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"
"3-Phenylpropionic Acid";MM00605;GENER;EPAM;0;25;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-5.78;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
"3-Phenylpropionic Acid";MM00605;DMPC;CCM18;-1;25;;;;;;;;0.61;;-28.18;;;"in-house calculations"
"3-Phenylpropionic Acid";MM00605;GENER;EPAM;;25;0;;;;;;;;;-5.78;;;"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"