• Drug Bank
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 of 344
Records 2481 to 2500 of 6870
 
Molecule Name
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TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB02848 mol2, pdbqt 323,21 -5,544 422,508 3,9507 7 2 0 0,9405 0,439086813740188 BBB+ HIA+ Caco2-
DB02849 mol2, pdbqt 224,61 0,579 332,248 -5,6135 9 5 0 -17,709 0,469648562414458 BBB- HIA- Caco2-
DB02850 mol2, pdbqt 327,39 -6,478 442,534 2,6595 7 1 0 4,2473 0,468806314104252 BBB+ HIA+ Caco2-
DB02851 mol2, pdbqt 130,59 -1,443 168,303 2,2347 0 0 0 -5,1255 0,47687920478454 BBB+ HIA+ Caco2+
DB02852 mol2, pdbqt 237,01 -1,426 311,333 -1,5798 7 4 0 4,3574 0,746669156128791 BBB+ HIA+ Caco2-
DB02853 mol2, pdbqt 89,34 -0,708 115,131 -2,6125 3 2 0 -4,0386 0,502634137046988 BBB+ HIA+ Caco2-
DB02854 mol2, pdbqt 215,28 -4,325 290,445 3,6007 2 1 0 0,37708 0,344608816212049 BBB+ HIA+ Caco2+
DB02855 mol2, pdbqt 300,02 -1,651 385,459 -0,2443 9 4 0 4,0625 0,874025979116602 BBB- HIA+ Caco2-
DB02856 mol2, pdbqt 90,99 -1,066 103,12 0,2641 3 1 0 -4,7718 0,495081625019321 BBB+ HIA+ Caco2+
DB02857 mol2, pdbqt 187,73 -1,718 283,243 -2,6909 10 5 0 -1,348 0,571603243119184 BBB+ HIA+ Caco2-
DB02858 mol2, pdbqt 284,64 -1,681 423,297 2,3764 7 3 0 -18,832 0,407047968329168 BBB+ HIA+ Caco2-
DB02859 mol2, pdbqt 404,72 -3,983 520,66 3,5393 8 2 1 -1,5591 0,331545743372787 BBB- HIA+ Caco2+
DB02860 mol2, pdbqt 779,04 -3,689 1009,18 0,3674 19 8 3 -19,475 0,13372566288476 BBB- HIA- Caco2-
DB02861 mol2, pdbqt 232,14 -3,785 344,312 1,5829 5 2 0 2,1026 0,768986585174277 BBB+ HIA+ Caco2-
DB02862 mol2, pdbqt 196,64 0,188 276,291 -0,2218 6 4 0 2,1058 0,546316408745585 BBB+ HIA+ Caco2-
DB02864 mol2, pdbqt 448,08 -5,712 582,655 3,7223 10 5 1 -0,94325 0,240802504671006 BBB- HIA- Caco2-
DB02865 mol2, pdbqt 160,3 1,755 259,15 -7,9892 9 6 1 -18,445 0,486556149911537 BBB- HIA- Caco2-
DB02866 mol2, pdbqt 179,78 -3,157 250,321 1,5144 4 1 0 -4,7911 0,162601082157682 BBB+ HIA+ Caco2-
DB02867 mol2, pdbqt 158,13 1,831 260,134 -5,8646 9 6 1 -22,924 0,48642484273903 BBB+ HIA- Caco2-
DB02868 mol2, pdbqt 578,9 -6,221 826,432 4,2885 12 2 2 1,4067 5,09096469443445E-02 BBB- HIA+ Caco2+
Page 
 of 344
Records 2481 to 2500 of 6870
These data are only available for scientific research purposes.