• Drug Bank
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 of 344
Records 2441 to 2460 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
DB02806 mol2, pdbqt 69,63 -0,098 76,0945 -0,4483 2 1 0 -2,3522 0,538622472504429 BBB+ HIA+ Caco2+
DB02807 mol2, pdbqt 128,02 0,165 180,155 -2,4736 6 5 0 -0,45433 0,684704258636902 BBB+ HIA+ Caco2-
DB02808 mol2, pdbqt 309,26 -0,949 436,299 0,4399 7 3 0 -38,144 0,414821813372416 BBB+ HIA+ Caco2-
DB02809 mol2, pdbqt 344,75 -4,901 498,352 1,867 10 5 0 -6,6986 0,281184936230389 BBB- HIA+ Caco2-
DB02810 mol2, pdbqt 139,55 0,792 190,154 -4,2572 7 3 0 -6,6442 0,493940225025955 BBB+ HIA- Caco2-
DB02811 mol2, pdbqt 107,03 -0,352 138,102 -0,2638 3 0 0 -18,558 0,295896885154482 BBB+ HIA+ Caco2-
DB02812 mol2, pdbqt 329,38 -2,293 446,53 -0,6678 10 5 0 7,8485 0,800138819817715 BBB- HIA+ Caco2-
DB02813 mol2, pdbqt 152,03 -0,191 219,192 -2,8261 7 4 0 -5,6571 0,491303441232891 BBB- HIA- Caco2-
DB02814 mol2, pdbqt 290,04 1,471 424,33 -4,9121 10 4 0 -25,443 0,256684996719562 BBB+ HIA- Caco2-
DB02816 mol2, pdbqt 193,25 -1,283 266,28 -0,9911 7 2 0 -2,0616 0,533483513894412 BBB- HIA+ Caco2-
DB02817 mol2, pdbqt 120,72 -2,053 168,235 1,3272 2 1 0 -0,16811 0,695616672469117 BBB+ HIA+ Caco2+
DB02818 mol2, pdbqt 167,13 -1,026 325,058 -3,5476 7 3 0 -0,46283 0,519371614185321 BBB- HIA- Caco2-
DB02819 mol2, pdbqt 227,51 -0,647 344,259 -3,2037 9 4 0 -20,641 0,463555202786714 BBB+ HIA- Caco2-
DB02820 mol2, pdbqt 698,91 -1,193 1028,89 -11,023 27 7 3 -29,298 0,247716112166611 BBB- HIA- Caco2-
DB02821 mol2, pdbqt 104,66 -0,572 134,134 -3,9088 5 3 0 -11,13 0,29638890796757 BBB+ HIA+ Caco2-
DB02822 mol2, pdbqt 112 -2,334 187,036 1,7875 1 1 0 -4,0356 0,477112081317721 BBB+ HIA+ Caco2+
DB02823 mol2, pdbqt 87,83 0,696 140,031 -4,1547 5 3 0 -14,227 0,49586004676031 BBB+ HIA- Caco2-
DB02824 mol2, pdbqt 213,94 1,152 306,21 -6,0349 9 5 0 -21,204 0,477229979304772 BBB- HIA- Caco2-
DB02825 mol2, pdbqt 53,6 -0,376 80,0227 -1,6771 2 1 0 -9,8091 0,495685138404084 BBB+ HIA+ Caco2-
DB02827 mol2, pdbqt 304,7 -3,117 466,446 0,7115 11 3 1 1,3175 0,663462171870329 BBB- HIA- Caco2-
Page 
 of 344
Records 2441 to 2460 of 6870
These data are only available for scientific research purposes.