• Drug Bank
Page 
 of 344
Records 3101 to 3120 of 6870
 
Molecule Name
Download
TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB03510 mol2, pdbqt 259,24 0,737 428,186 -8,0672 15 6 2 -20,648 0,425072819529908 BBB+ HIA- Caco2-
DB03511 mol2, pdbqt 122 0,269 194,138 -2,9704 7 5 0 -1,2853 0,59912857803436 BBB+ HIA- Caco2-
DB03512 mol2, pdbqt 196,11 2,617 343,141 -2,0617 11 4 1 -0,019945 0,697654570800095 BBB+ HIA+ Caco2-
DB03513 mol2, pdbqt 134,71 -2,032 257,15 -1,6808 4 3 0 -12,921 0,47493068762068 BBB+ HIA+ Caco2-
DB03514 mol2, pdbqt 126,41 -2,143 150,176 1,9468 2 1 0 -4,5597 0,171656749634081 BBB+ HIA+ Caco2+
DB03515 mol2, pdbqt 195,17 -4,731 266,339 4,2853 2 1 0 -0,41823 0,266547183606923 BBB+ HIA+ Caco2+
DB03517 mol2, pdbqt 81,11 -0,834 106,145 -0,1499 2 1 0 -1,2802 0,599721318357255 BBB+ HIA+ Caco2+
DB03518 mol2, pdbqt 114,25 -0,472 148,157 -0,5038 4 3 0 -3,5629 0,243033416404073 BBB+ HIA+ Caco2-
DB03520 mol2, pdbqt 113,35 -3,502 172,55 -0,00060003 4 1 0 -0,18625 0,651832896742287 BBB+ HIA+ Caco2-
DB03522 mol2, pdbqt 137,99 -0,054 191,138 -4,2551 7 3 0 -11,334 0,492243598348773 BBB- HIA+ Caco2-
DB03523 mol2, pdbqt 275,2 -7,171 375,373 5,4156 3 1 1 -2,9264 0,183850945876309 BBB+ HIA+ Caco2+
DB03524 mol2, pdbqt 462,74 -1,882 621,753 -0,5048 13 7 3 3,3536 0,570587130946696 BBB- HIA- Caco2-
DB03525 mol2, pdbqt 158,97 -0,889 229,171 -1,9136 5 3 0 -19,374 0,486469607725256 BBB+ HIA+ Caco2-
DB03526 mol2, pdbqt 242,12 -2,343 362,45 1,0909 7 2 0 3,481 0,867455349183383 BBB+ HIA+ Caco2-
DB03528 mol2, pdbqt 181,17 -2,325 267,244 -1,7396 9 4 0 -0,90819 0,604608564119652 BBB+ HIA+ Caco2-
DB03530 mol2, pdbqt 327,4 -2,028 469,498 -0,7102 12 5 1 -2,7175 0,41129335438005 BBB- HIA- Caco2-
DB03531 mol2, pdbqt 573,6 -2,864 855,646 -8,2655 25 9 3 -29,965 0,192053078267863 BBB- HIA- Caco2-
DB03532 mol2, pdbqt 312,24 0,4 521,208 -9,7289 18 9 3 -26,606 0,3583717361035 BBB+ HIA- Caco2-
DB03533 mol2, pdbqt 92,84 -1,21 142,118 -1,1076 6 4 0 0,5883 0,806048502198297 BBB+ HIA+ Caco2-
DB03534 mol2, pdbqt 298 -2,666 378,474 2,0115 6 1 0 5,3379 0,40457244140958 BBB+ HIA+ Caco2+
Page 
 of 344
Records 3101 to 3120 of 6870
These data are only available for scientific research purposes.