• Drug Bank
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 of 344
Records 1121 to 1140 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
DB01319 mol2, pdbqt 195,91 -2,162 585,613 -0,9872 12 4 2 -32,373 0,306779244648037 BBB+ HIA+ Caco2+
DB01320 mol2, pdbqt 125,98 -1,521 362,277 -1,8214 8 3 0 -14,64 0,452688855954436 BBB+ HIA- Caco2-
DB01321 mol2, pdbqt 206,05 -4,767 828,002 3,0585 16 3 2 1,3626 0,200481292437484 BBB- HIA+ Caco2-
DB01324 mol2, pdbqt 151,63 -3,264 439,886 1,5262 7 2 0 -0,51833 0,523316604143154 BBB- HIA+ Caco2-
DB01325 mol2, pdbqt 109,67 -3,053 289,742 0,8072 6 3 0 5,8311 0,71577863294361 BBB- HIA+ Caco2-
DB01326 mol2, pdbqt 201,14 -2,419 462,51 -0,2126 11 3 1 11,088 0,464915655331733 BBB- HIA- Caco2-
DB01327 mol2, pdbqt 234,93 -2,12 454,515 -1,0017 12 2 1 11,848 0,793897568031715 BBB- HIA+ Caco2-
DB01328 mol2, pdbqt 263,89 1,413 542,573 -1,8412 14 4 2 10,85 0,24716083387781 BBB- HIA- Caco2-
DB01329 mol2, pdbqt 270,86 -2,047 645,676 -1,2001 17 4 2 11,874 0,55933655964953 BBB- HIA+ Caco2-
DB01330 mol2, pdbqt 321,13 -1,896 575,627 -0,575 15 4 2 7,4203 0,62855329921242 BBB- HIA- Caco2-
DB01331 mol2, pdbqt 201,8 -2,142 427,457 -0,0143 10 3 0 10,197 0,826544807714956 BBB- HIA- Caco2-
DB01332 mol2, pdbqt 200,75 -2,424 383,408 -0,5055 10 3 0 13,221 0,693928180213114 BBB- HIA+ Caco2-
DB01333 mol2, pdbqt 138,03 -1,801 349,41 -2,003 7 3 0 7,08 0,728390017560473 BBB- HIA- Caco2-
DB01336 mol2, pdbqt 61,86 -6,804 652,829 4,3494 8 0 1 6,1152 0,268701606338002 BBB+ HIA+ Caco2+
DB01337 mol2, pdbqt 59,08 -4,938 572,871 3,2768 6 0 1 4,5251 0,450821475960225 BBB+ HIA+ Caco2+
DB01338 mol2, pdbqt 65,56 -2,164 602,901 1,1676 8 0 1 7,7858 0,589259933667498 BBB+ HIA+ Caco2+
DB01339 mol2, pdbqt 59,08 -5,203 557,837 4,3526 6 0 1 4,5251 0,397939664560575 BBB+ HIA+ Caco2+
DB01340 mol2, pdbqt 99,18 -2,452 417,504 -1,4041 8 2 0 -2,057 0,463422397424696 BBB- HIA+ Caco2-
DB01342 mol2, pdbqt 344,71 -4,469 416,531 4,087 8 1 0 -6,986 0,302480958738566 BBB+ HIA+ Caco2+
DB01346 mol2, pdbqt 45,59 -3,097 324,423 2,6104 4 1 0 0,87864 0,722965631598309 BBB+ HIA+ Caco2+
Page 
 of 344
Records 1121 to 1140 of 6870
These data are only available for scientific research purposes.