• Drug Bank
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Records 1501 to 1520 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
DB01786 mol2, pdbqt 70,88 -0,406 89,0936 -2,9911 3 2 0 -3,896 0,505502316312034 BBB+ HIA+ Caco2-
DB01788 mol2, pdbqt 103,05 -0,427 121,143 -0,6521 3 1 0 -1,4468 0,588067192230367 BBB+ HIA+ Caco2+
DB01789 mol2, pdbqt 117,3 -0,418 159,184 -1,664 4 4 0 -2,98 0,516890248011351 BBB- HIA+ Caco2-
DB01790 mol2, pdbqt 220,05 -3,491 345,275 -2,2109 10 3 0 -10,597 9,76592301120941E-02 BBB+ HIA+ Caco2-
DB01791 mol2, pdbqt 278,13 -5,145 381,258 4,0919 5 1 0 -0,773 0,37236402883789 BBB+ HIA+ Caco2+
DB01792 mol2, pdbqt 408,39 -0,198 653,389 -9,2389 22 8 3 -33,335 0,283085214340645 BBB+ HIA+ Caco2-
DB01793 mol2, pdbqt 255,8 -4,463 377,182 2,1096 6 3 0 3,8432 0,427528980128584 BBB- HIA+ Caco2-
DB01794 mol2, pdbqt 470,54 -3,896 966,489 -17,046 22 8 3 -1,65 0,255077306615056 BBB+ HIA- Caco2-
DB01795 mol2, pdbqt 100,56 1,105 121,931 1,383 2 2 0 -13,339 0,490300375863079 BBB+ HIA+ Caco2+
DB01796 mol2, pdbqt 120,22 -0,871 167,12 -0,3171 5 2 0 -1,5746 0,124087681645866 BBB+ HIA+ Caco2+
DB01797 mol2, pdbqt 126,8 0,946 205,169 -4,5743 8 5 0 -2,8644 0,518831289290385 BBB+ HIA- Caco2-
DB01798 mol2, pdbqt 126,11 2,179 206,027 -5,651 7 3 0 -32,533 0,492672688249122 BBB+ HIA- Caco2-
DB01799 mol2, pdbqt 172,48 1,986 264,106 -5,4506 8 4 0 -35,282 0,291508144901601 BBB+ HIA- Caco2-
DB01800 mol2, pdbqt 148,21 -0,808 235,172 -1,5694 8 2 0 -8,0025 0,486172566753727 BBB+ HIA+ Caco2-
DB01802 mol2, pdbqt 125,57 -1,277 139,241 1,5849 1 0 0 0,021555 0,727218319421268 BBB+ HIA+ Caco2+
DB01803 mol2, pdbqt 110,71 -0,499 120,239 -0,7845 1 0 0 -4,8688 0,497681861225778 BBB+ HIA+ Caco2+
DB01804 mol2, pdbqt 67,89 -0,615 102,113 -2,7222 3 2 0 -9,7123 0,395810654246006 BBB+ HIA+ Caco2-
DB01805 mol2, pdbqt 159,52 0,448 227,152 -4,9563 7 3 0 -38,58 0,489819359907795 BBB+ HIA- Caco2-
DB01806 mol2, pdbqt 532,26 -6,56 753,839 3,7142 14 4 2 6,285 0,163956685954001 BBB- HIA- Caco2-
DB01807 mol2, pdbqt 280,78 -5,361 368,867 4,0295 5 2 0 -1,631 0,323630421163756 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1501 to 1520 of 6870
These data are only available for scientific research purposes.