• Drug Bank
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 of 344
Records 6461 to 6480 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
DB08912 mol2, pdbqt 147,48 -7,001 519,571 4,5416 7 2 1 -3,4961 0,167382270555533 BBB+ HIA+ Caco2+
DB08913 mol2, pdbqt 0 -0,53 296,936 0 0 0 0 -1 0,603488963121201 BBB+ HIA+ Caco2+
DB08916 mol2, pdbqt 88,61 -5,476 485,946 3,6354 8 2 0 -0,79682 0,313906356536037 BBB+ HIA+ Caco2-
DB08918 mol2, pdbqt 46,33 -2,296 246,353 1,2437 3 1 0 4,8248 0,932065955776879 BBB+ HIA+ Caco2+
DB08922 mol2, pdbqt 84,99 -2,884 426,583 3,3163 6 0 0 4,207 0,443350153384525 BBB+ HIA+ Caco2+
DB08924 mol2, pdbqt 12,36 -3,762 264,582 3,6166 1 0 0 1,5339 0,122241972888922 BBB+ HIA+ Caco2+
DB08926 mol2, pdbqt 219,44 -3,063 306,341 0,4645 6 3 0 -0,165 0,649542599909032 BBB+ HIA- Caco2-
DB08927 mol2, pdbqt 316,87 -3,889 401,499 4,621 4 1 0 7,0587 0,615948737641452 BBB+ HIA+ Caco2-
DB08928 mol2, pdbqt 120,16 -2,044 347,29 1,56 4 3 0 1,6026 0,251592706099923 BBB+ HIA+ Caco2-
DB08930 mol2, pdbqt 99,18 -2,579 419,383 0,1208 8 2 0 5,5879 0,822468394004272 BBB- HIA+ Caco2-
DB08931 mol2, pdbqt 138,07 -5,706 422,423 1,4544 10 2 0 0,59334 0,46297788586754 BBB+ HIA+ Caco2-
DB08932 mol2, pdbqt 136,6 -7,055 588,28 3,744 10 2 1 -9,225 0,155643226818279 BBB+ HIA+ Caco2-
DB08933 mol2, pdbqt 92,21 -4,962 354,284 5,3693 3 0 1 -0,74232 0,325474843490336 BBB+ HIA+ Caco2+
DB08934 mol2, pdbqt 162,54 -3,776 529,456 0,3578 12 3 2 -20,314 0,311519373379009 BBB- HIA+ Caco2-
DB08936 mol2, pdbqt 6,48 -2,695 300,832 3,6827 2 0 0 7,6549 0,654220561579529 BBB+ HIA+ Caco2+
DB08939 mol2, pdbqt 204,35 -1,693 279,38 -1,2472 5 2 0 -1,1898 0,585153484059823 BBB- HIA+ Caco2-
DB08940 mol2, pdbqt 245,65 -2,828 322,363 2,1439 5 0 0 1,792 0,17532444424363 BBB+ HIA+ Caco2+
DB08941 mol2, pdbqt 61,72 -2,766 301,385 2,1739 4 3 0 3,2112 0,521277670130684 BBB- HIA+ Caco2+
DB08943 mol2, pdbqt 27,05 -5,081 416,134 4,8504 3 0 0 4,7237 0,490432589590156 BBB+ HIA+ Caco2+
DB08944 mol2, pdbqt 27,03 -3,125 244,381 3,267 2 0 0 -0,81492 0,330975146207819 BBB+ HIA+ Caco2+
Page 
 of 344
Records 6461 to 6480 of 6870
These data are only available for scientific research purposes.