• Drug Bank
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 of 344
Records 1061 to 1080 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
DB01222 mol2, pdbqt 93,06 -3,822 430,539 2,0988 6 2 0 1,6963 0,672678224995379 BBB+ HIA+ Caco2-
DB01223 mol2, pdbqt 69,3 -1,481 180,167 -0,3112 6 1 0 2,5134 0,202258726871863 BBB+ HIA+ Caco2+
DB01224 mol2, pdbqt 73,6 -2,46 383,515 2,73 5 1 0 2,458 0,635784509613977 BBB+ HIA+ Caco2-
DB01226 mol2, pdbqt 151,38 -6,374 1029,27 6,7916 16 0 3 -1,6958 9,93385315269589E-02 BBB+ HIA- Caco2+
DB01227 mol2, pdbqt 29,54 -3,211 353,504 4,0357 3 0 0 5,688 0,444110570702636 BBB+ HIA+ Caco2+
DB01228 mol2, pdbqt 41,57 -4,076 352,476 4,2959 4 1 0 3,4217 0,653394780668614 BBB+ HIA+ Caco2+
DB01229 mol2, pdbqt 221,29 -6,289 853,915 3,188 15 4 2 0,82049 0,242843031569427 BBB- HIA+ Caco2-
DB01231 mol2, pdbqt 23,47 -3,479 309,451 4,0366 2 1 0 2,5785 0,72204298640869 BBB+ HIA+ Caco2+
DB01232 mol2, pdbqt 174,72 -4,89 670,852 3,1802 11 6 3 -3,3822 0,204375870779686 BBB- HIA+ Caco2-
DB01233 mol2, pdbqt 67,59 -2,474 299,801 1,4695 5 2 0 7,8757 0,19649684734726 BBB+ HIA+ Caco2+
DB01234 mol2, pdbqt 94,83 -3,25 392,465 1,2884 5 3 0 3,1791 0,799910879011037 BBB+ HIA+ Caco2+
DB01235 mol2, pdbqt 103,78 -0,949 197,189 -2,2406 5 4 0 -11,045 0,489176396850541 BBB- HIA+ Caco2-
DB01236 mol2, pdbqt 9,23 -3,367 200,053 2,0064 1 0 0 -12,68 0,159202159069966 BBB+ HIA+ Caco2+
DB01237 mol2, pdbqt 12,47 -3,145 334,256 3,631 2 0 0 2,9045 0,766954195355067 BBB+ HIA+ Caco2+
DB01238 mol2, pdbqt 44,81 -5,144 448,392 4,4351 5 1 0 4,0343 0,490207607355976 BBB+ HIA+ Caco2+
DB01239 mol2, pdbqt 28,54 -4,558 315,867 5,1216 1 0 1 3,8043 0,333430543992565 BBB+ HIA+ Caco2+
DB01240 mol2, pdbqt 86,99 -3,944 352,469 3,4673 5 3 0 -12,436 0,367945082949407 BBB+ HIA+ Caco2+
DB01241 mol2, pdbqt 46,53 -3,244 250,337 3,5547 3 1 0 -6,3142 0,147517923326051 BBB+ HIA+ Caco2+
DB01242 mol2, pdbqt 6,48 -4,653 314,859 4,4969 2 0 0 4,3809 0,364974577304996 BBB+ HIA+ Caco2+
DB01243 mol2, pdbqt 33,12 -3,498 214,051 2,8419 2 1 0 -1,709 0,105668491536907 BBB+ HIA+ Caco2+
Page 
 of 344
Records 1061 to 1080 of 6870
These data are only available for scientific research purposes.