• Drug Bank
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Records 201 to 220 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
DB00317 mol2, pdbqt 68,74 -5,062 446,909 3,9851 7 1 0 0,47937 0,430463988038668 BBB+ HIA+ Caco2+
DB00318 mol2, pdbqt 41,93 -2,861 299,369 1,5324 4 1 0 5,1305 0,891830445816631 BBB+ HIA+ Caco2+
DB00319 mol2, pdbqt 181,73 -1,413 517,561 -0,1744 12 3 2 12,176 0,711997211559148 BBB- HIA- Caco2-
DB00320 mol2, pdbqt 118,21 -3,851 583,687 3,3492 10 3 1 9,8163 0,30770459349637 BBB- HIA+ Caco2-
DB00321 mol2, pdbqt 3,24 -3,674 277,41 4,4056 1 0 0 2,4515 0,410326047833972 BBB+ HIA+ Caco2+
DB00322 mol2, pdbqt 99,1 -1,503 246,193 -1,4898 7 3 0 -3,4013 0,496619149398547 BBB+ HIA+ Caco2-
DB00323 mol2, pdbqt 103,35 -3,928 273,243 1,5205 6 2 0 -6,2978 0,250332909428665 BBB- HIA+ Caco2-
DB00324 mol2, pdbqt 74,6 -3,757 376,466 2,2151 4 2 0 1,9912 0,441266547429096 BBB+ HIA+ Caco2+
DB00325 mol2, pdbqt 148,38 1,477 215,941 -1,8905 7 0 0 -5,3272 0,177746956238873 BBB+ HIA- Caco2-
DB00326 mol2, pdbqt 158,68 0,693 226,18 -4,0628 8 7 1 2,049 0,924314029726943 BBB+ HIA+ Caco2-
DB00327 mol2, pdbqt 49,77 -2,826 285,342 1,6758 4 1 0 4,2337 0,893064461819418 BBB+ HIA+ Caco2+
DB00328 mol2, pdbqt 68,53 -5,396 357,792 4,0028 5 1 0 2,8 0,544011510956464 BBB+ HIA+ Caco2+
DB00330 mol2, pdbqt 64,52 -0,836 204,313 -0,3822 4 4 0 2,3823 0,560980613837226 BBB- HIA+ Caco2+
DB00331 mol2, pdbqt 88,99 0,827 129,166 -1,7137 5 4 0 3,5915 0,352390192856639 BBB+ HIA+ Caco2-
DB00332 mol2, pdbqt 49,77 -3,025 332,462 1,6186 4 1 0 4,2225 0,862810143157316 BBB+ HIA- Caco2+
DB00333 mol2, pdbqt 20,31 -2,852 309,451 3,5199 2 0 0 7,0772 0,491925589728499 BBB+ HIA+ Caco2+
DB00334 mol2, pdbqt 59,11 -3,042 312,44 3,0388 4 1 0 8,1024 0,838235460166922 BBB+ HIA+ Caco2+
DB00335 mol2, pdbqt 84,58 -2,022 266,34 0,3065 5 3 0 7,2414 0,943283004310618 BBB- HIA+ Caco2-
DB00336 mol2, pdbqt 126,44 -3,481 198,138 -0,2462 8 2 0 2,9708 0,314694942583961 BBB+ HIA- Caco2-
DB00337 mol2, pdbqt 158,13 -6,193 810,462 5,9757 12 2 3 2,2696 6,89334665594342E-02 BBB- HIA+ Caco2-
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 of 344
Records 201 to 220 of 6870
These data are only available for scientific research purposes.