• Drug Bank
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Records 3201 to 3220 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
DB03628 mol2, pdbqt 164,96 -1,739 229,171 -1,2713 5 3 0 -11,033 0,384928248869302 BBB+ HIA- Caco2-
DB03629 mol2, pdbqt 173,69 -1,905 263,141 -3,6724 8 3 0 -24,139 0,47565892992919 BBB+ HIA- Caco2-
DB03630 mol2, pdbqt 129,16 -4,006 250,099 2,3343 0 0 0 -5,0314 0,411125010482154 BBB+ HIA+ Caco2+
DB03631 mol2, pdbqt 152,71 0,075 210,188 -3,3057 6 4 0 -9,1245 0,490974995239126 BBB- HIA- Caco2-
DB03632 mol2, pdbqt 507,68 -1,965 675,698 -2,1663 19 10 3 3,7713 0,535134820313623 BBB- HIA- Caco2-
DB03633 mol2, pdbqt 447,52 -2,722 510,714 3,5687 7 2 1 -54,455 0,189701587977537 BBB+ HIA- Caco2-
DB03634 mol2, pdbqt 478,46 -1,495 660,651 -3,2894 19 11 3 -9,9274 0,277617592181867 BBB- HIA- Caco2-
DB03635 mol2, pdbqt 74,45 -0,208 110,133 -1,3231 3 1 0 -2,4862 0,53325397398353 BBB+ HIA+ Caco2-
DB03636 mol2, pdbqt 62,05 -0,104 74,0826 -2,0214 3 2 0 -0,86274 0,38625280301301 BBB+ HIA+ Caco2-
DB03637 mol2, pdbqt 101,09 0,043 118,159 -1,4329 4 4 0 0,21351 0,769558835877612 BBB+ HIA+ Caco2-
DB03638 mol2, pdbqt 377,78 0,2 588,425 -6,3563 20 10 3 -31,742 0,313410896263398 BBB+ HIA- Caco2-
DB03639 mol2, pdbqt 159,34 -0,98 174,291 -1,0067 4 4 0 -9,3875 0,490153823197962 BBB+ HIA+ Caco2+
DB03640 mol2, pdbqt 101,57 0,248 149,102 -4,8348 6 4 0 -4,071 0,503337947651891 BBB- HIA- Caco2-
DB03641 mol2, pdbqt 239,79 2,741 387,177 -7,4862 13 6 2 -20,816 0,448592331699508 BBB+ HIA- Caco2-
DB03642 mol2, pdbqt 388,66 -3,802 526,612 2,6197 10 2 1 5,4636 0,600205331252952 BBB- HIA+ Caco2-
DB03643 mol2, pdbqt 191,98 -2,945 252,276 -0,3332 5 3 0 0,13892 0,704460753628633 BBB+ HIA+ Caco2-
DB03644 mol2, pdbqt 112,23 -1,409 153,137 0,1217 4 3 0 -1,5411 0,123913531770332 BBB- HIA+ Caco2-
DB03645 mol2, pdbqt 99,29 0,421 155,046 -4,6691 6 4 0 -12,699 0,494973237126537 BBB+ HIA- Caco2-
DB03646 mol2, pdbqt 605,19 -9,537 653,169 14,694 3 1 2 -7,3541 4,31301318652433E-02 BBB+ HIA+ Caco2+
DB03647 mol2, pdbqt 290,15 -6,256 379,479 5,416 4 1 1 2,696 0,373936236475572 BBB+ HIA+ Caco2+
Page 
 of 344
Records 3201 to 3220 of 6870
These data are only available for scientific research purposes.