• Drug Bank
Page 
 of 344
Records 4461 to 4480 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
DB06729 mol2, pdbqt 98,39 -3,285 314,368 0,8016 6 2 0 6,7625 0,871795780266047 BBB+ HIA+ Caco2+
DB06730 mol2, pdbqt 37,3 -4,359 310,435 3,2626 2 1 0 1,2432 0,648183571657829 BBB+ HIA+ Caco2+
DB06732 mol2, pdbqt 206,58 -5,35 272,302 4,5672 2 0 0 0,24192 0,154549853862966 BBB+ HIA+ Caco2+
DB06733 mol2, pdbqt 493,07 -5,004 622,837 6,1277 9 4 2 4,1151 0,274435080647505 BBB- HIA- Caco2-
DB06736 mol2, pdbqt 75,63 -4,547 354,188 3,4431 5 2 0 0,57333 0,558330635161456 BBB+ HIA+ Caco2+
DB06737 mol2, pdbqt 79,67 -4,481 298,361 3,7347 3 1 0 1,1825 0,490344735918158 BBB+ HIA+ Caco2+
DB06738 mol2, pdbqt 40,54 -2,181 247,337 2,0239 3 1 0 8,8198 0,926391192600465 BBB+ HIA+ Caco2+
DB06742 mol2, pdbqt 58,28 -4,411 378,107 2,4927 3 3 0 -1,2867 0,435644254682193 BBB+ HIA+ Caco2+
DB06751 mol2, pdbqt 48,95 -4,898 397,513 5,0673 5 1 1 -0,30443 0,214382231080573 BBB+ HIA+ Caco2+
DB06756 mol2, pdbqt 40,54 0,683 118,155 -1,9936 3 1 0 -2,6524 0,529079691278082 BBB+ HIA- Caco2+
DB06764 mol2, pdbqt 24,39 -2,745 200,284 2,1302 2 1 0 0,68345 0,761189758237164 BBB+ HIA+ Caco2-
DB06766 mol2, pdbqt 38,13 -1,526 307,396 3,2203 4 0 0 5,9811 0,871570479826585 BBB+ HIA+ Caco2+
DB06768 mol2, pdbqt 57,53 -0,33 90,0776 -0,8665 3 2 0 -2,02 0,553167729283894 BBB+ HIA+ Caco2-
DB06769 mol2, pdbqt 58,36 -2,73 358,268 2,6707 5 1 0 0,19196 0,140519139726786 BBB+ HIA+ Caco2+
DB06770 mol2, pdbqt 20,23 -1,5 108,14 1,0623 1 1 0 -2,2456 6,89822321899547E-02 BBB+ HIA+ Caco2+
DB06771 mol2, pdbqt 86,87 -5,028 393,845 -0,1842 6 2 0 -2,4157 0,286966200874082 BBB- HIA+ Caco2-
DB06772 mol2, pdbqt 202,45 -6,067 835,941 3,4648 15 3 2 -55,66 0,145579804714633 BBB- HIA+ Caco2-
DB06774 mol2, pdbqt 58,56 -3,318 305,416 3,8039 4 2 0 -10,379 0,389338197118093 BBB+ HIA+ Caco2+
DB06775 mol2, pdbqt 129,72 -0,882 190,154 -1,8461 7 4 0 -9,8482 0,489883060823827 BBB+ HIA- Caco2-
DB06777 mol2, pdbqt 77,76 -4,879 392,578 4,0315 4 3 0 -0,29665 0,419761051312015 BBB+ HIA+ Caco2+
Page 
 of 344
Records 4461 to 4480 of 6870
These data are only available for scientific research purposes.