• Drug Bank
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 of 344
Records 2281 to 2300 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
DB02630 mol2, pdbqt 150,39 1,997 232,124 -5,8222 8 6 1 -22,318 0,490115264829366 BBB+ HIA- Caco2-
DB02631 mol2, pdbqt 171,05 -0,938 242,665 0,2346 6 3 0 2,5879 0,932058287501214 BBB- HIA+ Caco2-
DB02632 mol2, pdbqt 205,09 -1,666 301,25 -1,597 9 4 0 -9,5438 0,470389177976549 BBB- HIA- Caco2-
DB02633 mol2, pdbqt 493,69 -5,778 774,167 0,1596 18 7 3 -6,2301 2,20206180720064E-02 BBB- HIA- Caco2-
DB02635 mol2, pdbqt 263,46 0,074 362,318 -4,5485 9 5 0 -15,429 0,458350647900721 BBB- HIA- Caco2-
DB02636 mol2, pdbqt 239,1 -5,734 357,273 2,3076 9 2 0 -6,56 0,106741756548554 BBB- HIA+ Caco2-
DB02637 mol2, pdbqt 93,21 -0,126 132,071 -1,7196 5 2 0 -14,216 0,49482994458451 BBB+ HIA+ Caco2-
DB02638 mol2, pdbqt 563,45 -3,704 1227,39 -7,5835 31 16 3 7,0942 0,446176656849754 BBB- HIA+ Caco2-
DB02639 mol2, pdbqt 232,64 -1,689 338,311 -0,7594 8 4 0 -9,8469 0,275789981904364 BBB- HIA+ Caco2-
DB02640 mol2, pdbqt 375,76 -3,495 458,549 3,5948 7 1 0 -2,1821 7,90579252025376E-02 BBB+ HIA+ Caco2-
DB02641 mol2, pdbqt 120,83 -1,885 129,202 1,5751 2 1 0 -20,929 0,478881438251912 BBB+ HIA+ Caco2+
DB02642 mol2, pdbqt 176,46 -1,802 245,17 -2,3393 6 3 0 -21,572 0,479035571918207 BBB+ HIA- Caco2-
DB02643 mol2, pdbqt 294,9 -2,336 336,559 2,3871 4 1 0 -24,067 0,263031704586058 BBB+ HIA- Caco2-
DB02644 mol2, pdbqt 182,58 -0,642 217,292 -2,2255 6 5 0 -10,468 0,488594343126081 BBB- HIA+ Caco2-
DB02645 mol2, pdbqt 179,59 -0,292 250,246 -2,1227 7 4 0 -7,3533 0,104985258412654 BBB+ HIA- Caco2-
DB02646 mol2, pdbqt 57,32 -0,616 59,0677 -0,2195 2 0 0 -2,0052 0,199079504460755 BBB+ HIA+ Caco2+
DB02647 mol2, pdbqt 177,08 -3,207 227,266 2,2169 4 2 0 3,761 0,875081316957132 BBB+ HIA+ Caco2+
DB02648 mol2, pdbqt 137,8 0,542 162,208 -2,1066 4 2 0 1,5334 0,901343731510073 BBB+ HIA- Caco2+
DB02649 mol2, pdbqt 77,63 -0,28 103,077 -1,5188 4 2 0 -3,2068 0,514591514069632 BBB+ HIA+ Caco2-
DB02650 mol2, pdbqt 89,71 -1,893 147,388 1,2827 1 0 0 -4,3208 6,30275889018855E-02 BBB+ HIA+ Caco2+
Page 
 of 344
Records 2281 to 2300 of 6870
These data are only available for scientific research purposes.