• Drug Bank
Page 
 of 344
Records 1981 to 2000 of 6870
 
Molecule Name
Download
TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB02306 mol2, pdbqt 675,77 -6,438 759,078 9,5609 9 1 2 -62,079 7,84782136619895E-02 BBB+ HIA- Caco2-
DB02307 mol2, pdbqt 341,2 -2,149 441,482 -1,0816 9 6 1 -1,6277 0,471842645708149 BBB+ HIA- Caco2-
DB02308 mol2, pdbqt 120,41 0,976 160 -0,8329 4 1 0 -20,327 0,395593821536448 BBB+ HIA+ Caco2-
DB02309 mol2, pdbqt 228,49 -0,348 365,214 -5,1392 13 7 2 -20,648 0,456433696860572 BBB+ HIA- Caco2-
DB02310 mol2, pdbqt 203,93 -4,067 251,352 3,8 2 0 0 -1,39 0,355577636150967 BBB+ HIA+ Caco2+
DB02311 mol2, pdbqt 91,99 -1,108 124,228 -0,5746 1 0 0 -2,7631 0,520539986031713 BBB+ HIA+ Caco2+
DB02312 mol2, pdbqt 158,13 1,831 260,134 -5,8646 9 6 1 -19,186 0,486424844947948 BBB+ HIA- Caco2-
DB02313 mol2, pdbqt 469,29 -5,288 600,686 3,0417 11 3 2 -10,834 0,206058500798675 BBB- HIA+ Caco2-
DB02314 mol2, pdbqt 580,05 1,078 879,609 -10,624 28 12 3 -45,369 0,252311546836907 BBB- HIA- Caco2-
DB02315 mol2, pdbqt 211,65 -1,046 345,207 -4,1573 12 4 1 -30,339 0,461840717300337 BBB+ HIA+ Caco2-
DB02316 mol2, pdbqt 328,42 -5,214 450,317 4,7283 6 2 0 -6,02 0,233684804825694 BBB+ HIA+ Caco2-
DB02317 mol2, pdbqt 158,13 1,831 260,134 -5,8646 9 6 1 -22,924 0,48642484273903 BBB+ HIA- Caco2-
DB02318 mol2, pdbqt 118,01 -0,913 184,137 -1,2186 4 3 0 -2,3283 0,533414714695399 BBB+ HIA+ Caco2-
DB02319 mol2, pdbqt 477,77 2,651 779,437 -12,523 26 12 3 -31,663 0,258385844150742 BBB+ HIA- Caco2-
DB02320 mol2, pdbqt 153,24 -0,087 221,208 -2,4377 7 5 0 -2,4636 0,527957352460591 BBB- HIA- Caco2-
DB02321 mol2, pdbqt 182,94 -0,684 267,301 -4,0517 7 5 0 -14,154 0,482338651251562 BBB- HIA+ Caco2-
DB02322 mol2, pdbqt 334,37 3,114 577,469 -8,8079 20 8 3 2,1015 0,606462973252071 BBB- HIA- Caco2-
DB02323 mol2, pdbqt 498,58 -8,091 677,84 5,5489 12 5 3 -13,402 5,91142909197454E-02 BBB- HIA+ Caco2-
DB02324 mol2, pdbqt 222,59 0,176 434,074 -4,1322 10 4 0 -16,245 0,252485506613384 BBB+ HIA- Caco2-
DB02325 mol2, pdbqt 20,23 -0,855 60,0955 0,4098 1 1 0 -2,6347 6,80806825733841E-02 BBB+ HIA+ Caco2+
Page 
 of 344
Records 1981 to 2000 of 6870
These data are only available for scientific research purposes.