• Drug Bank
Page 
 of 344
Records 1281 to 1300 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
DB01534 mol2, pdbqt 178,82 -2,548 265,563 2,2484 3 2 0 0,93791 0,134412995446899 BBB+ HIA+ Caco2-
DB01536 mol2, pdbqt 212,63 -4,112 286,413 3,6399 2 0 0 0,7626 0,373168244769097 BBB+ HIA+ Caco2+
DB01537 mol2, pdbqt 172,45 -2,558 260,13 1,6798 3 1 0 -3,7623 0,469491451263784 BBB+ HIA+ Caco2+
DB01538 mol2, pdbqt 243,3 -3,499 343,421 2,2924 5 0 0 4,0359 0,814976736530936 BBB+ HIA+ Caco2+
DB01539 mol2, pdbqt 166,52 -2,594 192,305 2,0967 2 0 0 -4,6286 0,27938883794364 BBB+ HIA+ Caco2+
DB01542 mol2, pdbqt 238,58 -2,813 287,402 3,661 3 0 0 3,5428 0,808627956124327 BBB+ HIA+ Caco2+
DB01543 mol2, pdbqt 217,32 -4,154 288,429 3,6191 2 1 0 1,2572 0,392988950997524 BBB+ HIA+ Caco2+
DB01544 mol2, pdbqt 78,49 -4,71 313,287 1,5578 6 0 0 -2,6006 0,236251732885334 BBB+ HIA+ Caco2+
DB01545 mol2, pdbqt 67,76 -5,291 360,771 2,6097 5 1 0 -6,9556 0,189115629775219 BBB+ HIA+ Caco2+
DB01547 mol2, pdbqt 240,92 -2,685 333,426 1,4309 5 2 0 4,6517 0,881582239695161 BBB+ HIA+ Caco2+
DB01549 mol2, pdbqt 190,81 -3,197 229,366 3,7952 1 0 0 -0,3301 0,457643917092594 BBB+ HIA+ Caco2+
DB01550 mol2, pdbqt 35,82 -2,7 188,273 1,9117 2 1 0 -1,9652 0,31086899473814 BBB+ HIA+ Caco2+
DB01551 mol2, pdbqt 41,93 -3,089 301,385 1,8078 4 1 0 4,2758 0,872361088564575 BBB+ HIA+ Caco2+
DB01552 mol2, pdbqt 226,3 -2,604 275,39 3,3921 3 0 0 6,4172 0,849833607985406 BBB+ HIA+ Caco2+
DB01553 mol2, pdbqt 41,57 -4,036 349,216 3,4553 4 1 0 4,0149 0,347704096807906 BBB+ HIA+ Caco2+
DB01554 mol2, pdbqt 204,66 -3,833 276,418 3,021 2 2 0 0,59117 0,395118870292646 BBB+ HIA+ Caco2+
DB01555 mol2, pdbqt 295,3 -3,211 353,504 4,0357 3 0 0 5,688 0,444110570702636 BBB+ HIA+ Caco2+
DB01558 mol2, pdbqt 54,35 -4,023 316,157 1,7986 4 1 0 0,96099 0,149712415069297 BBB+ HIA+ Caco2+
DB01559 mol2, pdbqt 60,91 -5,335 318,827 3,8003 3 0 0 5,484 0,474623428532746 BBB+ HIA+ Caco2+
DB01561 mol2, pdbqt 214,18 -4,376 288,429 3,7444 2 0 0 -0,32553 0,30111572484855 BBB+ HIA+ Caco2+
Page 
 of 344
Records 1281 to 1300 of 6870
These data are only available for scientific research purposes.