• Drug Bank
Page 
 of 344
Records 6081 to 6100 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
DB08466 mol2, pdbqt 179,59 -2,366 230,262 2,8239 3 3 0 -3,2867 0,466172115864215 BBB+ HIA+ Caco2+
DB08467 mol2, pdbqt 246,14 -3,756 300,44 5,2482 2 1 1 -8,6959 0,306048324520662 BBB+ HIA+ Caco2+
DB08469 mol2, pdbqt 255,45 -4,204 335,427 3,9905 6 0 0 -30,349 0,34359409552753 BBB+ HIA+ Caco2-
DB08470 mol2, pdbqt 186,22 -5,17 239,252 2,8163 3 1 0 -0,1796 0,492890250099165 BBB+ HIA+ Caco2+
DB08471 mol2, pdbqt 267,72 -4,247 359,473 3,9496 5 0 0 6,8057 0,673592226208824 BBB+ HIA+ Caco2-
DB08472 mol2, pdbqt 236,22 -3,561 309,33 3,6241 2 1 0 -5,5353 0,389291483290939 BBB+ HIA+ Caco2+
DB08473 mol2, pdbqt 205,97 -3,355 319,143 1,0786 6 3 0 -0,84572 0,561453448532371 BBB+ HIA+ Caco2-
DB08474 mol2, pdbqt 206,97 -2,527 242,361 2,0205 4 2 0 -1,3451 0,553559380870251 BBB+ HIA+ Caco2-
DB08475 mol2, pdbqt 214,65 -2,037 278,284 0,4198 5 1 0 -45,274 0,281634596240721 BBB+ HIA- Caco2-
DB08476 mol2, pdbqt 187,83 -2,674 212,336 2,2081 3 2 0 -8,9472 0,45688895954013 BBB+ HIA+ Caco2-
DB08478 mol2, pdbqt 190,2 -2,556 279,652 1,1828 5 5 0 -4,4143 0,133805655922109 BBB+ HIA+ Caco2+
DB08479 mol2, pdbqt 189,84 -1,078 237,262 -0,4115 7 5 0 2,6204 0,448808288985863 BBB+ HIA+ Caco2-
DB08480 mol2, pdbqt 155,43 -2,374 187,241 1,992 2 1 0 -2,9979 0,488517816311842 BBB+ HIA+ Caco2+
DB08481 mol2, pdbqt 256,69 -4,599 362,429 2,4671 6 1 0 -3,8333 0,130150832069647 BBB- HIA+ Caco2-
DB08482 mol2, pdbqt 326,33 -3,027 401,502 1,0117 9 4 0 -1,0971 0,51339191172921 BBB+ HIA+ Caco2-
DB08484 mol2, pdbqt 194,41 -2,663 275,352 0,2325 6 3 0 3,9201 0,730288446082113 BBB+ HIA+ Caco2-
DB08485 mol2, pdbqt 254,04 -3,052 358,413 1,3183 5 4 0 1,3583 0,767135106029703 BBB- HIA+ Caco2-
DB08487 mol2, pdbqt 316,28 -2,89 462,981 2,0017 7 2 0 5,1812 0,740976399725988 BBB+ HIA+ Caco2-
DB08488 mol2, pdbqt 302,28 -3,576 436,943 1,9594 7 1 0 5,9891 0,740554489402512 BBB+ HIA+ Caco2-
DB08489 mol2, pdbqt 363,4 -4 456,585 2,6779 8 4 0 -0,62455 0,453733625145474 BBB- HIA+ Caco2-
Page 
 of 344
Records 6081 to 6100 of 6870
These data are only available for scientific research purposes.