• Drug Bank
Page 
 of 344
Records 4921 to 4940 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
DB07249 mol2, pdbqt 351,42 -6,348 470,955 5,1597 8 1 1 1,1512 0,307270017968734 BBB+ HIA+ Caco2+
DB07250 mol2, pdbqt 315,68 -6,065 430,847 4,3855 9 2 0 -0,85972 0,284960932765435 BBB+ HIA+ Caco2-
DB07251 mol2, pdbqt 316,44 -5,495 417,852 4,0985 9 2 0 -0,8275 0,1994180332838 BBB+ HIA+ Caco2+
DB07252 mol2, pdbqt 286 -5,91 419,848 3,3595 9 3 0 -4,1308 0,155268881010674 BBB- HIA+ Caco2-
DB07253 mol2, pdbqt 289,74 -6,428 418,86 3,5975 8 2 0 -4,5763 0,140644133698169 BBB- HIA+ Caco2-
DB07254 mol2, pdbqt 301,2 -7,098 433,875 3,6442 9 3 0 2,084 0,397045722542733 BBB- HIA+ Caco2-
DB07255 mol2, pdbqt 310,74 -6,114 425,875 4,2645 8 2 0 1,286 0,398126223848685 BBB+ HIA+ Caco2-
DB07256 mol2, pdbqt 275,17 -6,1 383,794 3,6828 8 3 0 -0,0125 0,376715743928253 BBB+ HIA+ Caco2-
DB07257 mol2, pdbqt 251,83 -4,993 354,792 3,0109 5 2 0 1,4143 0,589256942427121 BBB+ HIA+ Caco2-
DB07258 mol2, pdbqt 239,99 -2,092 298,385 2,198 4 1 0 2,814 0,705538020811599 BBB+ HIA+ Caco2-
DB07259 mol2, pdbqt 151,24 -3,583 189,281 2,3472 1 1 0 1,2789 0,768599052699956 BBB+ HIA+ Caco2+
DB07260 mol2, pdbqt 233,74 -3,566 282,386 2,811 3 2 0 -2,4291 0,448002616121129 BBB+ HIA+ Caco2-
DB07261 mol2, pdbqt 312,57 -4,159 453,546 1,8289 8 2 0 6,7123 0,680299379165714 BBB+ HIA+ Caco2-
DB07262 mol2, pdbqt 194,57 -2,523 276,285 1,234 4 4 0 -5,1685 0,462616475048287 BBB+ HIA+ Caco2-
DB07263 mol2, pdbqt 315 -6,495 495,255 3,1376 4 2 0 -16,786 0,208897534806052 BBB+ HIA- Caco2-
DB07264 mol2, pdbqt 329,45 -5,779 459,307 3,2688 6 4 0 3,8929 0,487336705723366 BBB+ HIA+ Caco2-
DB07265 mol2, pdbqt 282,85 -5,216 400,389 2,9774 7 3 0 3,3478 0,591552839524493 BBB+ HIA+ Caco2-
DB07266 mol2, pdbqt 261,06 -4,698 348,449 2,9714 5 2 0 1,6918 0,636274530342126 BBB+ HIA+ Caco2-
DB07267 mol2, pdbqt 246,14 -4,831 313,363 3,4252 5 1 0 -0,96557 0,428030618043977 BBB+ HIA+ Caco2+
DB07268 mol2, pdbqt 245,84 -4,357 321,339 2,6197 7 4 0 -0,03172 0,268963734072948 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4921 to 4940 of 6870
These data are only available for scientific research purposes.