• Drug Bank
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 of 344
Records 921 to 940 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
DB01077 mol2, pdbqt 154,91 1,568 206,027 -7,0768 7 5 0 -15,478 0,29551158141807 BBB+ HIA- Caco2-
DB01078 mol2, pdbqt 282,21 -5,387 943,086 0,0583 19 9 3 -1,4126 0,210210021013799 BBB- HIA+ Caco2-
DB01080 mol2, pdbqt 63,32 -1,155 129,158 -1,8134 3 2 0 -6,2935 0,394037548232753 BBB+ HIA+ Caco2-
DB01081 mol2, pdbqt 53,33 -4,811 452,596 4,7577 4 0 0 1,8554 0,46096979351007 BBB+ HIA+ Caco2+
DB01082 mol2, pdbqt 331,43 0,965 581,578 -8,2075 19 14 3 1,9975 0,358656987626365 BBB- HIA- Caco2-
DB01083 mol2, pdbqt 81,7 -6,856 495,742 7,6187 6 1 1 -15,657 0,114620670292447 BBB+ HIA+ Caco2-
DB01084 mol2, pdbqt 33,53 -1,562 302,42 2,0454 5 0 0 4,9818 0,915928158292276 BBB+ HIA+ Caco2+
DB01085 mol2, pdbqt 44,12 -1,2 208,26 0,7617 4 0 0 4,1824 0,960370427458392 BBB+ HIA+ Caco2+
DB01086 mol2, pdbqt 52,32 -2,133 165,191 1,3016 3 1 0 -5,1632 0,287479255776576 BBB+ HIA+ Caco2+
DB01087 mol2, pdbqt 60,17 -3,187 259,352 1,9025 4 2 0 1,2011 0,470004806105628 BBB+ HIA+ Caco2-
DB01088 mol2, pdbqt 77,76 -5,837 360,492 4,1896 4 3 0 -6,6338 0,254030158052926 BBB+ HIA+ Caco2+
DB01089 mol2, pdbqt 108,55 -4,428 578,66 3,6454 10 1 1 2,322 0,449769151819515 BBB+ HIA+ Caco2+
DB01090 mol2, pdbqt 6,48 -0,882 240,433 0,3578 2 0 0 3,4001 0,950676524001106 BBB+ HIA- Caco2+
DB01091 mol2, pdbqt 3,24 -5,219 317,474 5,4769 1 0 1 0,23984 0,22207611101616 BBB+ HIA+ Caco2+
DB01092 mol2, pdbqt 206,6 -2,72 584,656 -1,4423 12 8 3 0,43549 0,484623120582281 BBB- HIA+ Caco2-
DB01093 mol2, pdbqt 36,28 -0,044 78,1346 -1,2837 1 0 0 -1,4555 7,64751343972197E-02 BBB+ HIA+ Caco2+
DB01094 mol2, pdbqt 96,22 -2,658 302,281 2,0857 6 3 0 -0,0783 0,660146326150701 BBB- HIA+ Caco2+
DB01095 mol2, pdbqt 82,69 -4,813 411,471 3,9775 5 3 0 1,8038 0,326098031418891 BBB+ HIA+ Caco2-
DB01096 mol2, pdbqt 90,11 -3,18 279,339 -1,1156 6 3 0 -2,4677 0,484381358237131 BBB- HIA+ Caco2-
DB01097 mol2, pdbqt 55,13 -3,371 270,209 2,4636 4 1 0 -6,1082 0,42993607063269 BBB+ HIA+ Caco2+
Page 
 of 344
Records 921 to 940 of 6870
These data are only available for scientific research purposes.