• Drug Bank
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 of 344
Records 5241 to 5260 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
DB07581 mol2, pdbqt 222,31 -3,003 271,399 0,0398 4 3 0 -8,9167 0,454379832084706 BBB- HIA+ Caco2-
DB07582 mol2, pdbqt 338,26 -4,273 446,59 1,4242 8 3 0 1,1578 0,601562063598208 BBB- HIA+ Caco2-
DB07583 mol2, pdbqt 309,84 -4,317 431,943 2,7347 6 2 0 3,8422 0,664498698633326 BBB+ HIA+ Caco2-
DB07584 mol2, pdbqt 225,28 -4,808 291,317 1,9468 7 3 0 1,9653 0,683173248637296 BBB+ HIA+ Caco2+
DB07585 mol2, pdbqt 196,54 -3,814 274,714 0,8582 6 2 0 3,627 0,8376154365504 BBB+ HIA+ Caco2-
DB07586 mol2, pdbqt 322,38 -5,489 417,464 3,4862 7 3 0 2,7559 0,315956891580099 BBB+ HIA+ Caco2+
DB07587 mol2, pdbqt 332,71 -4,064 490,477 -0,2386 8 3 0 -9,3378 0,327471263895095 BBB+ HIA+ Caco2-
DB07588 mol2, pdbqt 278,89 -5,936 385,378 2,8575 7 5 0 2,2517 0,51996297883436 BBB+ HIA+ Caco2-
DB07589 mol2, pdbqt 337,31 -3,993 485,525 0,5482 7 4 0 -11,307 0,332289894350184 BBB+ HIA+ Caco2-
DB07590 mol2, pdbqt 225,74 -4,071 322,211 -0,1249 4 2 0 -5,7051 0,40663714057502 BBB+ HIA+ Caco2-
DB07591 mol2, pdbqt 180,42 -2,462 239,298 0,8797 5 2 0 -0,69185 0,623894011049073 BBB+ HIA+ Caco2-
DB07592 mol2, pdbqt 261,33 -4,205 305,416 3,7278 4 1 0 -22,937 0,359422839547799 BBB+ HIA+ Caco2+
DB07593 mol2, pdbqt 263,76 -4,51 317,427 3,8012 4 1 0 -22,484 0,340098649667151 BBB+ HIA+ Caco2+
DB07594 mol2, pdbqt 266,11 -4,514 352,389 3,4074 6 3 0 -5,1955 0,20732347900796 BBB+ HIA+ Caco2-
DB07595 mol2, pdbqt 257,07 -4,658 382,264 0,8024 5 2 0 1,0945 0,620521658755336 BBB+ HIA+ Caco2-
DB07596 mol2, pdbqt 292,82 -5,632 404,529 4,0053 6 1 0 -6,9701 0,153840394348455 BBB+ HIA+ Caco2-
DB07597 mol2, pdbqt 127,15 -1,837 163,219 0,8405 2 2 0 -0,98056 0,368005173293575 BBB+ HIA+ Caco2+
DB07598 mol2, pdbqt 172,11 -2,312 247,249 1,9698 5 0 0 -3,8745 0,471457843315785 BBB+ HIA+ Caco2+
DB07599 mol2, pdbqt 191,98 -0,254 258,065 0,3158 8 4 0 -0,30247 0,687803311494045 BBB+ HIA- Caco2-
DB07601 mol2, pdbqt 285,01 -3,686 389,838 2,3674 7 3 0 3,7721 0,764469668278005 BBB+ HIA+ Caco2-
Page 
 of 344
Records 5241 to 5260 of 6870
These data are only available for scientific research purposes.