• Drug Bank
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 of 344
Records 6001 to 6020 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
DB08378 mol2, pdbqt 215,01 -2,491 292,29 -0,0037 7 3 0 -3,2966 0,171984096957791 BBB+ HIA+ Caco2-
DB08379 mol2, pdbqt 243,73 -5,857 330,745 3,4595 4 1 0 0,88487 0,475979651834317 BBB+ HIA+ Caco2-
DB08383 mol2, pdbqt 281,33 -6,089 362,452 4,8467 4 1 0 2,8902 0,258592568237768 BBB+ HIA+ Caco2+
DB08384 mol2, pdbqt 310,51 -4,954 392,461 3,8365 5 1 0 1,4176 0,536047939387738 BBB+ HIA+ Caco2-
DB08385 mol2, pdbqt 208,82 -3,233 270,331 2,8566 4 1 0 3,7782 0,431427046466808 BBB+ HIA+ Caco2-
DB08386 mol2, pdbqt 296,75 -5,329 378,434 3,6798 5 1 0 1,246 0,510458129577091 BBB+ HIA+ Caco2-
DB08387 mol2, pdbqt 308,64 -5,523 392,461 3,8485 5 0 0 2,376 0,515650479251984 BBB+ HIA+ Caco2+
DB08388 mol2, pdbqt 295,99 -4,979 402,377 1,9097 8 2 0 1,9654 0,292450596508001 BBB+ HIA+ Caco2-
DB08389 mol2, pdbqt 304,84 -6,06 401,465 4,4034 6 0 0 3,1172 0,160812753129266 BBB+ HIA+ Caco2+
DB08390 mol2, pdbqt 277,67 -4,904 362,439 3,8641 4 1 0 -5,755 0,308717656338055 BBB+ HIA+ Caco2+
DB08391 mol2, pdbqt 302,36 -4,785 403,441 2,998 8 0 0 3,1172 0,136004853829633 BBB+ HIA+ Caco2+
DB08392 mol2, pdbqt 304,44 -6,894 391,426 3,5783 7 2 0 0,49714 0,221813915575158 BBB- HIA+ Caco2-
DB08393 mol2, pdbqt 259,92 -6,858 331,374 3,7183 5 2 0 0,38059 0,227766355313984 BBB+ HIA+ Caco2-
DB08394 mol2, pdbqt 245,4 -2,239 346,231 -1,9756 10 3 0 -36,287 0,451827554975751 BBB+ HIA- Caco2-
DB08395 mol2, pdbqt 310,25 -4,972 423,399 2,4798 8 1 0 -5,0255 0,112695967543602 BBB+ HIA+ Caco2-
DB08396 mol2, pdbqt 212,03 -2,673 274,275 0,0926 6 2 0 0,80784 0,780108677546431 BBB- HIA+ Caco2-
DB08397 mol2, pdbqt 191,54 -3,958 302,168 -0,0906 5 3 0 -16,837 0,415017677424789 BBB+ HIA+ Caco2-
DB08399 mol2, pdbqt 184,92 -2,568 244,245 2,4838 4 4 0 -1,6732 0,313789565866329 BBB- HIA+ Caco2+
DB08400 mol2, pdbqt 273,44 -5,332 380,365 4,135 5 1 0 -3,5052 0,143805149649354 BBB+ HIA+ Caco2-
DB08401 mol2, pdbqt 285,28 -1,645 382,324 -0,8488 11 4 1 -4,0423 0,450420121524156 BBB+ HIA+ Caco2-
Page 
 of 344
Records 6001 to 6020 of 6870
These data are only available for scientific research purposes.