• Drug Bank
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Records 601 to 620 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
DB00742 mol2, pdbqt 121,38 0,546 182,171 -3,1458 6 6 1 -0,1995 0,715820673193342 BBB- HIA+ Caco2-
DB00743 mol2, pdbqt 205,45 1,15 513,498 -7,1488 14 5 2 -8,4643 0,364586043063949 BBB- HIA- Caco2-
DB00744 mol2, pdbqt 94,8 -3,235 236,294 1,227 4 2 0 1,8442 0,836625562304202 BBB+ HIA+ Caco2-
DB00745 mol2, pdbqt 79,37 -3,839 273,355 0,3845 3 1 0 -0,62682 0,572561209297521 BBB+ HIA+ Caco2+
DB00746 mol2, pdbqt 205,84 -2,232 560,69 -0,3149 14 6 3 -2,9001 0,121517022795698 BBB+ HIA- Caco2-
DB00747 mol2, pdbqt 62,3 -2,295 303,357 0,779 5 1 0 2,875 0,895588184681395 BBB+ HIA+ Caco2+
DB00748 mol2, pdbqt 25,36 -2,276 290,793 2,5649 3 0 0 4,7123 0,891259723825104 BBB+ HIA+ Caco2+
DB00749 mol2, pdbqt 62,32 -3,529 287,358 2,9812 4 2 0 1,5288 0,749319329136189 BBB+ HIA+ Caco2+
DB00750 mol2, pdbqt 41,13 -2,735 220,315 1,9542 3 2 0 5,1726 0,730452683794244 BBB+ HIA+ Caco2+
DB00751 mol2, pdbqt 41,62 -4,118 249,316 2,5825 3 1 0 2,2636 0,761776684937907 BBB+ HIA+ Caco2+
DB00752 mol2, pdbqt 26,02 -2,25 133,193 1,5205 1 1 0 -0,5087 0,653135292009682 BBB+ HIA+ Caco2+
DB00753 mol2, pdbqt 9,23 -2,488 184,491 1,4972 1 0 0 -12,081 0,180078409360306 BBB+ HIA+ Caco2+
DB00754 mol2, pdbqt 49,41 -1,79 204,228 1,0597 4 1 0 5,3867 0,955502240149515 BBB+ HIA+ Caco2+
DB00755 mol2, pdbqt 37,3 -3,478 300,44 5,8207 2 1 1 -4,6002 0,287578616851332 BBB+ HIA+ Caco2+
DB00756 mol2, pdbqt 40,46 -7,151 406,907 6,4201 2 2 1 -2,0352 2,78683528190293E-02 BBB+ HIA+ Caco2+
DB00757 mol2, pdbqt 62,4 -3,509 324,379 2,2352 5 1 0 3,8981 0,495104810728552 BBB+ HIA+ Caco2+
DB00758 mol2, pdbqt 57,78 -3,222 321,827 2,7073 3 0 0 2,6245 0,810171604410942 BBB+ HIA+ Caco2+
DB00759 mol2, pdbqt 181,62 -1,829 444,439 -1,3318 10 6 1 5,2428 0,810805492315463 BBB- HIA+ Caco2+
DB00760 mol2, pdbqt 135,48 -1,292 383,468 -3,1042 8 3 0 7,9757 0,889892017951161 BBB- HIA+ Caco2-
DB00762 mol2, pdbqt 112,51 -4,504 586,687 3,5596 10 1 1 -0,086614 0,34170806808518 BBB+ HIA+ Caco2-
Page 
 of 344
Records 601 to 620 of 6870
These data are only available for scientific research purposes.