• Drug Bank
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 of 344
Records 4701 to 4720 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
DB07021 mol2, pdbqt 220,93 -2,425 318,301 2,6327 4 1 0 2,2467 0,834507332109436 BBB+ HIA+ Caco2+
DB07022 mol2, pdbqt 311,87 -3,227 427,48 1,8342 8 4 0 -5,7158 8,39237364464134E-02 BBB+ HIA+ Caco2-
DB07023 mol2, pdbqt 293,55 -0,028 384,199 -1,0825 9 4 0 -10,816 0,358465583904624 BBB+ HIA+ Caco2-
DB07024 mol2, pdbqt 268,16 -4,972 403,41 1,3485 8 3 0 0,096786 0,299558884472675 BBB+ HIA+ Caco2-
DB07025 mol2, pdbqt 297,99 -4,117 386,497 1,9964 5 3 0 7,112 0,748257810551545 BBB+ HIA+ Caco2-
DB07026 mol2, pdbqt 279,87 -4,038 383,403 0,9242 8 3 0 4,4893 0,765712187038907 BBB+ HIA+ Caco2-
DB07027 mol2, pdbqt 285,45 -3,339 369,439 1,7098 5 2 0 1,6672 0,76008599030097 BBB+ HIA+ Caco2-
DB07028 mol2, pdbqt 264,25 -4,621 416,629 3,0085 5 2 0 -1,582 0,379413931409614 BBB+ HIA+ Caco2-
DB07029 mol2, pdbqt 290,54 -9,185 388,382 3,7404 8 0 0 1,1279 0,355084068895742 BBB+ HIA+ Caco2+
DB07030 mol2, pdbqt 262,94 -3,933 364,74 1,2609 8 2 0 -3,4659 0,407420450735154 BBB+ HIA- Caco2-
DB07031 mol2, pdbqt 295,41 -5,278 399,46 3,3798 5 3 0 -2,895 0,305613012362494 BBB+ HIA+ Caco2-
DB07032 mol2, pdbqt 170,01 -3,961 226,23 3,17 3 2 0 -1,0746 0,299070549334645 BBB+ HIA+ Caco2+
DB07033 mol2, pdbqt 181,79 -2,002 240,261 0,8022 4 2 0 3,6868 0,936873312660811 BBB+ HIA+ Caco2-
DB07034 mol2, pdbqt 244,56 -4,677 343,29 1,9173 8 3 0 -0,5856 0,176339139067747 BBB+ HIA+ Caco2-
DB07035 mol2, pdbqt 257,58 -4,611 406,218 3,7836 4 1 0 -1,3348 0,374731760375628 BBB+ HIA+ Caco2+
DB07036 mol2, pdbqt 252,87 -4,099 362,371 4,0191 4 2 0 -7,9926 0,339848902243314 BBB+ HIA+ Caco2+
DB07037 mol2, pdbqt 196,64 -2,582 262,268 -2,5114 7 3 0 -3,2883 0,483119846159598 BBB+ HIA+ Caco2-
DB07038 mol2, pdbqt 176,62 -3,263 219,283 2,3474 3 2 0 -5,1907 0,442340390863529 BBB+ HIA+ Caco2+
DB07039 mol2, pdbqt 284,71 -5,45 447,227 2,3035 6 2 0 -0,19311 0,40368850937799 BBB- HIA+ Caco2-
DB07040 mol2, pdbqt 187,17 -5,661 273,223 1,5793 6 2 0 -1,4924 0,378319669159211 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4701 to 4720 of 6870
These data are only available for scientific research purposes.