• Drug Bank
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Records 6481 to 6500 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
DB08946 mol2, pdbqt 63,32 -5,418 570,921 2,9039 3 2 1 0,47424 0,277314415320008 BBB+ HIA+ Caco2+
DB08947 mol2, pdbqt 198,92 -4,062 777,075 -1,0673 11 8 3 -1,5808 0,259938923733989 BBB+ HIA- Caco2-
DB08954 mol2, pdbqt 43,7 -3,027 325,45 3,5003 3 2 0 5,6172 0,805068728620573 BBB+ HIA+ Caco2+
DB08957 mol2, pdbqt 145,44 -1,624 420,504 1,0222 8 8 1 -2,5776 0,449083765294674 BBB- HIA+ Caco2-
DB08958 mol2, pdbqt 32,5 -3,581 339,609 5,2587 3 1 1 -1,401 0,17437833957588 BBB+ HIA+ Caco2+
DB08960 mol2, pdbqt 203,72 0,22 202,384 -0,5942 2 0 0 -6,765 0,29489472892662 BBB+ HIA- Caco2+
DB08964 mol2, pdbqt 83,83 -4,048 394,55 5,0048 5 2 1 -16,025 0,172224623600533 BBB+ HIA+ Caco2-
DB08965 mol2, pdbqt 139,83 -3,302 639,828 2,9163 12 0 2 3,981 0,499744418235826 BBB+ HIA+ Caco2+
DB08966 mol2, pdbqt 148,61 -2,799 398,55 1,0289 7 3 0 2,2189 0,792988509629723 BBB+ HIA+ Caco2-
DB08967 mol2, pdbqt 77,54 -3,312 391,559 3,1244 5 0 0 8,3221 0,132805361584321 BBB+ HIA+ Caco2-
DB08968 mol2, pdbqt 65,37 -2,569 401,893 2,1333 6 1 0 4,8846 0,820695695132423 BBB+ HIA+ Caco2+
DB08970 mol2, pdbqt 94,83 -3,153 390,449 1,2622 5 3 0 -0,081248 0,609304501448167 BBB+ HIA+ Caco2+
DB08971 mol2, pdbqt 74,6 -3,751 376,466 2,0831 4 2 0 2,82 0,763552708885891 BBB+ HIA+ Caco2+
DB08973 mol2, pdbqt 72,83 -4,787 487,393 3,0139 5 1 0 0,40638 0,183862572887836 BBB+ HIA+ Caco2+
DB08974 mol2, pdbqt 87,57 -4,888 313,287 2,5445 6 2 0 -0,39098 0,490173093720835 BBB+ HIA+ Caco2+
DB08976 mol2, pdbqt 91,68 -4,483 406,359 3,1795 6 3 0 -7,0844 9,56601272940289E-02 BBB+ HIA+ Caco2-
DB08979 mol2, pdbqt 45,06 -2,407 260,336 1,6495 4 1 0 7,9252 0,923375187668218 BBB+ HIA+ Caco2-
DB08981 mol2, pdbqt 54,37 -4,401 254,284 2,8225 3 1 0 -1,8142 0,260428051243478 BBB+ HIA+ Caco2+
DB08982 mol2, pdbqt 75,15 -1,512 284,379 2,066 5 0 0 -2,1235 0,246171553104773 BBB- HIA+ Caco2-
DB08983 mol2, pdbqt 74,72 -3,338 363,796 2,9005 6 0 0 -5,7073 0,115440988963612 BBB+ HIA+ Caco2+
Page 
 of 344
Records 6481 to 6500 of 6870
These data are only available for scientific research purposes.