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
3,4-Xylenol;MM00806;DMPC;CCM15;0;25;;0.987;;2.411;;4.149;;2.501;;;;;"in-house calculations"
3,4-Xylenol;MM00806;DOPC;CCM15;0;25;;0.99;;2.221;;4.2;;2.463;;;;;"in-house calculations"
3,4-Xylenol;MM00806;"SC mix";CCM15;0;25;;1.981;;2.36;;3.672;;2.033;;;;;"in-house calculations"
3,4-Xylenol;MM00806;PSKIN;EPAM;0;25;;;;;;;;;;-4.16;;;"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"
3,4-Xylenol;MM00806;1-octanol;XLOGP3;;;;;;;;;;2.2;;;;;"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"
3,4-Xylenol;MM00806;PSKIN;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/310933  target=_blank>310933</a>";;;;;;;;;-4.16;;;"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"