• Drug Bank
Page 
 of 344
Records 2701 to 2720 of 6870
 
Molecule Name
Download
TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB03084 mol2, pdbqt 363,46 -4,844 485,461 5,4211 6 1 1 7,7837 0,414484956419013 BBB+ HIA+ Caco2+
DB03086 mol2, pdbqt 247,62 -3,326 305,42 2,4229 5 4 0 -1,5955 0,496259047515311 BBB+ HIA+ Caco2-
DB03087 mol2, pdbqt 118,74 -1,787 141,237 2,1311 1 0 0 1,3282 0,8486886981423 BBB+ HIA+ Caco2+
DB03088 mol2, pdbqt 93,33 -0,69 129,115 -1,1153 4 2 0 -8,8934 0,493344611469077 BBB+ HIA+ Caco2-
DB03090 mol2, pdbqt 243,19 -2,196 304,389 -0,3206 5 2 0 -2,748 0,294775520605084 BBB- HIA+ Caco2-
DB03091 mol2, pdbqt 112,41 -0,497 146,145 -3,7564 5 3 0 -7,3194 0,494039868561572 BBB+ HIA- Caco2-
DB03092 mol2, pdbqt 120,22 0,057 176,167 -2,1183 5 5 0 -0,29308 0,703928956687383 BBB- HIA+ Caco2-
DB03093 mol2, pdbqt 226,62 -3,885 303,296 1,6887 7 2 0 -1,295 8,64985575660184E-02 BBB+ HIA+ Caco2+
DB03094 mol2, pdbqt 157,93 0,29 216,24 -8,744 7 4 0 -1,0991 0,613369894650134 BBB- HIA+ Caco2-
DB03095 mol2, pdbqt 79,59 0,458 74,1463 -1,1236 1 0 0 -3,605 0,51005078395849 BBB+ HIA- Caco2+
DB03096 mol2, pdbqt 111,38 0,257 130,19 -1,0848 3 1 0 -3,8487 0,303335432689176 BBB+ HIA+ Caco2+
DB03097 mol2, pdbqt 230,64 0,094 331,22 -3,5526 10 5 0 -16,404 0,46937807340258 BBB- HIA- Caco2-
DB03098 mol2, pdbqt 63,62 -0,529 153,039 -0,4554 2 1 0 -5,5242 0,494272856918285 BBB+ HIA+ Caco2+
DB03099 mol2, pdbqt 113,53 -2,677 172,1 -2,3538 8 3 0 -3,6587 0,484840049061525 BBB+ HIA+ Caco2-
DB03100 mol2, pdbqt 119,86 -2,15 163,136 -0,0515 5 1 0 -3,3222 0,298400816135377 BBB+ HIA+ Caco2+
DB03101 mol2, pdbqt 139,28 1,702 230,108 -5,3545 8 5 0 -21,004 0,49025751383943 BBB+ HIA- Caco2-
DB03102 mol2, pdbqt 184,39 -1,967 271,248 -0,7624 7 3 0 -3,1587 0,492298740639017 BBB- HIA- Caco2-
DB03103 mol2, pdbqt 248,69 1,542 402,188 -6,9524 13 5 1 -25,989 0,440636476748691 BBB+ HIA- Caco2-
DB03104 mol2, pdbqt 441,64 -6,474 567,64 4,3874 9 3 1 0,85078 0,27181498698733 BBB- HIA+ Caco2-
DB03105 mol2, pdbqt 106,25 -0,439 133,146 -3,009 4 3 0 -18,33 0,494322238640737 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2701 to 2720 of 6870
These data are only available for scientific research purposes.