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-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;DMPC;CCM15;0;25;;1.242;;7.347;;2.755;;1.354;;;;;"in-house calculations"
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;DOPC;CCM15;0;25;;1.356;;6.976;;2.781;;1.235;;;;;"in-house calculations"
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;"SC mix";CCM15;0;25;;2.234;;7.722;;2.142;;0.823;;;;;"in-house calculations"
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;PSKIN;EPAM;0;25;;;;;;;;;;-5.15;;;"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-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;1-octanol;XLOGP3;;;;;;;;;;1.5;;;;;"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-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;DMPC;CCM18;0;25;;;;;;;;1.36;;-3.1;;;"in-house calculations"
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;DMPC;CCM18;-1;25;;;;;;;;0.32;;-23.57;;;"in-house calculations"
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;DMPC;CCM18;-2;25;;;;;;;;1.49;;-28.04;;;"in-house calculations"
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;PSKIN;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/266762  target=_blank>266762</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"
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;PSKIN;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/266765  target=_blank>266765</a>";;;;;;;;;-5.15;;;"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-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;PSKIN;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/310933  target=_blank>310933</a>";;;;;;;;;-5.15;;;"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"