• Drug Bank
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 of 344
Records 1541 to 1560 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
DB01828 mol2, pdbqt 34,28 -0,253 31,0577 -0,7536 1 1 0 -1,8447 0,203002855088362 BBB+ HIA+ Caco2+
DB01829 mol2, pdbqt 484,9 0,646 735,472 -9,371 23 9 3 -30,097 0,263523663533836 BBB- HIA- Caco2-
DB01830 mol2, pdbqt 475,38 -1,749 665,615 -3,0556 13 8 3 -14,459 0,274866898165347 BBB+ HIA- Caco2-
DB01831 mol2, pdbqt 361,4 -3,189 533,437 -4,8681 15 6 3 -43,959 0,325636602648568 BBB+ HIA- Caco2-
DB01832 mol2, pdbqt 125,25 1,133 180,095 -2,0663 5 2 0 -19,312 0,49398746169938 BBB+ HIA- Caco2-
DB01833 mol2, pdbqt 136,43 -0,173 176,175 -4,1569 7 5 0 -9,6242 0,493010763646612 BBB+ HIA+ Caco2-
DB01834 mol2, pdbqt 363,54 -3,653 501,558 -1,3947 10 6 2 -17,518 0,334979815249338 BBB- HIA+ Caco2-
DB01835 mol2, pdbqt 162,78 -0,346 205,232 -2,6815 5 4 0 -8,7809 0,490569268527362 BBB+ HIA+ Caco2-
DB01836 mol2, pdbqt 354,61 -3,937 499,033 3,4527 7 0 0 8,4046 0,597453699542241 BBB+ HIA+ Caco2-
DB01837 mol2, pdbqt 112,39 -0,309 147,129 -3,4332 5 2 0 -6,1697 0,253516926050237 BBB- HIA+ Caco2-
DB01838 mol2, pdbqt 232,41 -4,944 426,059 4,572 4 2 0 -1,9769 0,291082639656396 BBB+ HIA+ Caco2+
DB01840 mol2, pdbqt 166,89 0,579 242,163 -4,89 7 6 1 -11,994 0,488232100949017 BBB+ HIA- Caco2-
DB01841 mol2, pdbqt 105,07 -0,655 148,157 -0,842 4 3 0 1,7395 0,911421133328918 BBB+ HIA+ Caco2-
DB01842 mol2, pdbqt 301,53 1,911 507,181 -10,855 18 7 3 -29,013 0,369433529711355 BBB+ HIA- Caco2-
DB01843 mol2, pdbqt 161,96 -0,197 263,205 -5,016 10 6 1 -1,3519 0,583769015280307 BBB+ HIA- Caco2-
DB01844 mol2, pdbqt 67,86 -0,258 73,0946 -0,4497 2 0 0 0,34492 0,101767684720864 BBB+ HIA+ Caco2+
DB01846 mol2, pdbqt 510,24 0,656 783,537 -11,148 24 10 3 -30,173 0,257605212280648 BBB- HIA- Caco2-
DB01847 mol2, pdbqt 124,85 -1,297 160,172 -0,8059 5 3 0 -7,9612 0,489306479883765 BBB+ HIA+ Caco2-
DB01848 mol2, pdbqt 132,09 0,02 191,115 -4,368 7 3 0 -0,30248 0,701596768706965 BBB+ HIA- Caco2-
DB01849 mol2, pdbqt 85,94 -1,028 114,104 -0,7737 4 2 0 2,8231 0,956838522749234 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1541 to 1560 of 6870
These data are only available for scientific research purposes.