• Drug Bank
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 of 344
Records 6021 to 6040 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
DB08402 mol2, pdbqt 284,45 -6,177 404,208 3,7061 7 2 0 0,66855 0,40283958951286 BBB+ HIA- Caco2-
DB08403 mol2, pdbqt 282,8 -2,881 349,429 1,003 7 4 0 4,9837 0,868741412972919 BBB+ HIA+ Caco2-
DB08404 mol2, pdbqt 334,88 -0,616 440,496 -1,4768 9 4 0 -40,41 0,248958375035508 BBB- HIA+ Caco2-
DB08405 mol2, pdbqt 348,64 -0,886 454,523 -1,0224 9 4 0 -47,24 0,323610857440794 BBB- HIA+ Caco2-
DB08406 mol2, pdbqt 276,52 -6,664 367,415 2,6802 7 2 0 1,5686 0,463131749718851 BBB+ HIA+ Caco2+
DB08407 mol2, pdbqt 301,57 -4,007 441,478 2,1428 8 4 0 2,016 0,66072727728483 BBB- HIA+ Caco2-
DB08408 mol2, pdbqt 285,3 -2,433 362,489 0,9993 7 3 0 -17,892 0,263613222354666 BBB- HIA- Caco2-
DB08409 mol2, pdbqt 259,16 -1,949 360,258 -2,226 10 3 0 -36,354 0,450055726457611 BBB+ HIA- Caco2-
DB08410 mol2, pdbqt 248,25 -2,286 323,304 -0,6783 9 3 0 -13,904 0,457729847128872 BBB+ HIA- Caco2-
DB08411 mol2, pdbqt 256,4 -2,617 360,258 -1,6163 10 3 0 -34,588 0,440872369395671 BBB+ HIA- Caco2-
DB08412 mol2, pdbqt 300,44 -3,319 402,339 -0,158 10 3 0 -41,083 0,405111084169328 BBB+ HIA- Caco2-
DB08413 mol2, pdbqt 149,31 -2,225 217,117 -1,1888 6 1 0 -27,567 0,476960503997321 BBB+ HIA+ Caco2-
DB08414 mol2, pdbqt 219,78 -4,075 306,776 3,0538 5 1 0 0,84711 0,653111240388318 BBB+ HIA+ Caco2+
DB08416 mol2, pdbqt 304,45 -4,802 460,57 2,5624 9 2 0 0,54127 0,294188190959785 BBB+ HIA+ Caco2-
DB08418 mol2, pdbqt 326,91 -4,411 469,56 2,6782 8 1 0 4,3148 0,619980488576837 BBB+ HIA+ Caco2-
DB08419 mol2, pdbqt 196,99 -1,834 262,672 1,868 3 0 0 -24,524 0,373203296408736 BBB+ HIA+ Caco2+
DB08420 mol2, pdbqt 340,61 -1,544 434,302 2,2379 8 4 0 -11,859 0,403081526567236 BBB- HIA- Caco2-
DB08421 mol2, pdbqt 155,4 -1,757 184,282 0,8928 3 2 0 1,8693 0,898195316046686 BBB+ HIA+ Caco2+
DB08422 mol2, pdbqt 303,08 -2,199 381,478 0,332 7 3 0 3,6084 0,861399944190468 BBB+ HIA+ Caco2-
DB08423 mol2, pdbqt 288,86 -4,933 380,422 1,9115 6 2 0 3,5204 0,66087126321578 BBB+ HIA+ Caco2-
Page 
 of 344
Records 6021 to 6040 of 6870
These data are only available for scientific research purposes.