• Drug Bank
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 of 344
Records 4101 to 4120 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
DB04601 mol2, pdbqt 272,37 -6,874 370,392 0,8744 9 1 0 -3,7359 0,262500390261423 BBB+ HIA+ Caco2-
DB04602 mol2, pdbqt 249,76 -0,781 374,293 -6,7047 12 4 1 -15,398 0,162507849849607 BBB+ HIA+ Caco2-
DB04603 mol2, pdbqt 218,52 1,514 335,208 -5,6029 11 5 1 -20,417 0,469250290815092 BBB+ HIA- Caco2-
DB04604 mol2, pdbqt 208,69 -3,655 392,148 -0,8627 8 4 0 -0,64769 0,322066961544621 BBB+ HIA+ Caco2-
DB04605 mol2, pdbqt 115,14 -2,503 144,177 1,1758 2 1 0 -1,9084 0,320159456681273 BBB+ HIA+ Caco2+
DB04606 mol2, pdbqt 466,59 -4,376 613,738 0,5307 13 7 3 4,3749 0,490879672696444 BBB+ HIA+ Caco2-
DB04607 mol2, pdbqt 313,94 -8,471 461,328 3,5899 7 2 0 5,3151 0,373962232593071 BBB- HIA+ Caco2-
DB04608 mol2, pdbqt 231,6 -5,803 328,326 3,4105 5 3 0 1,5239 0,514787202973593 BBB+ HIA+ Caco2-
DB04609 mol2, pdbqt 445,56 -6,204 596,75 5,3846 8 3 2 6,2311 0,267442977664003 BBB- HIA- Caco2-
DB04610 mol2, pdbqt 234,61 -4,322 313,36 0,2542 7 4 0 3,164 0,463342939205317 BBB- HIA+ Caco2-
DB04612 mol2, pdbqt 416,96 -4,276 534,698 3,3215 8 3 1 -4,2325 0,218541672128334 BBB- HIA+ Caco2-
DB04613 mol2, pdbqt 504,37 -4,45 631,768 1,5975 13 5 2 -1,7226 0,270919420678023 BBB- HIA+ Caco2-
DB04614 mol2, pdbqt 414,09 -6,976 500,728 6,5411 5 3 2 -2,9095 7,79500222153292E-02 BBB+ HIA+ Caco2-
DB04615 mol2, pdbqt 414,09 -6,976 500,728 6,5411 5 3 2 -2,9095 7,79500222153292E-02 BBB+ HIA+ Caco2-
DB04616 mol2, pdbqt 374,28 -7,116 452,644 7,0178 4 2 1 -4,7823 7,66631065329823E-02 BBB+ HIA+ Caco2-
DB04617 mol2, pdbqt 265,97 -4,987 327,514 4,6416 3 3 0 -9,639 0,169085798395132 BBB+ HIA+ Caco2-
DB04618 mol2, pdbqt 622,88 1,186 969,886 -10,851 29 20 3 -8,7635 0,250667802821097 BBB- HIA- Caco2-
DB04619 mol2, pdbqt 103,27 -2,3 120,151 1,5308 1 0 0 -1,9442 0,115315522255099 BBB+ HIA+ Caco2+
DB04620 mol2, pdbqt 98,07 -1,141 129,158 -2,245 3 2 0 -9,3468 0,295108941464777 BBB+ HIA+ Caco2-
DB04622 mol2, pdbqt 130,58 -0,725 153,184 -0,283 4 2 0 3,545 0,969241278091509 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4101 to 4120 of 6870
These data are only available for scientific research purposes.