• Drug Bank
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Records 6641 to 6660 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
DB09197 mol2, pdbqt 35,16 -2,357 304,824 2,2377 4 1 0 8,3774 0,430484230620165 BBB+ HIA+ Caco2-
DB09198 mol2, pdbqt 128,18 -6,297 480,544 3,2766 9 1 0 7,5278 0,437203100041874 BBB+ HIA+ Caco2-
DB09199 mol2, pdbqt 274,94 -5,911 381,426 4,1333 4 1 0 2,984 0,483044340200033 BBB+ HIA+ Caco2-
DB09200 mol2, pdbqt 291,07 -3,167 397,454 2,39 7 1 0 5,8386 0,796368949264143 BBB+ HIA+ Caco2-
DB09201 mol2, pdbqt 252,2 -4,471 333,451 3,5019 4 1 0 -0,30988 0,396222094609988 BBB+ HIA+ Caco2-
DB09202 mol2, pdbqt 171,99 -2,56 216,283 1,7415 3 1 0 3,66 0,915370628582755 BBB+ HIA+ Caco2-
DB09203 mol2, pdbqt 135,94 -0,76 167,207 0,0303 3 3 0 2,574 0,756634946367891 BBB- HIA+ Caco2-
DB09204 mol2, pdbqt 170,02 -4,339 371,549 2,5076 5 3 0 9,8288 0,43660179984314 BBB+ HIA+ Caco2-
DB09205 mol2, pdbqt 38,77 -2,572 279,379 2,807 4 0 0 3,7568 0,871116265018828 BBB+ HIA+ Caco2+
DB09206 mol2, pdbqt 325,61 -3,521 435,479 1,5047 11 2 1 -1,6361 0,437764360595315 BBB- HIA+ Caco2-
DB09207 mol2, pdbqt 280 -1,903 399,331 1,5954 6 2 0 6,3339 0,851171549116272 BBB+ HIA+ Caco2+
DB09209 mol2, pdbqt 54,4 -2,351 398,501 1,2012 6 1 0 5,8282 0,84597306453058 BBB+ HIA+ Caco2+
DB09210 mol2, pdbqt 64,39 0,57 142,157 -1,1798 4 2 0 3,2925 0,972616009919377 BBB+ HIA+ Caco2-
DB09211 mol2, pdbqt 94,83 -4,013 380,523 4,4655 5 3 0 -10,963 0,318389487392341 BBB+ HIA+ Caco2+
DB09212 mol2, pdbqt 54,37 -3,173 246,305 2,6235 3 1 0 -3,2035 0,217174352814834 BBB+ HIA+ Caco2+
DB09213 mol2, pdbqt 37,3 -2,895 206,284 3,0025 2 1 0 0,0805 0,666175082520446 BBB+ HIA+ Caco2+
DB09214 mol2, pdbqt 54,37 -4,062 254,284 2,7003 3 1 0 0,41431 0,640656166013624 BBB+ HIA+ Caco2+
DB09215 mol2, pdbqt 105,26 -3,11 357,345 1,4537 8 0 0 1,1801 0,750854340063836 BBB- HIA+ Caco2-
DB09216 mol2, pdbqt 49,33 -4,287 261,707 3,625 3 2 0 -0,77511 0,288408901931072 BBB+ HIA+ Caco2+
DB09217 mol2, pdbqt 236,48 -3,481 336,407 1,2368 5 0 0 -2,1195 0,467506364403478 BBB+ HIA+ Caco2-
Page 
 of 344
Records 6641 to 6660 of 6870
These data are only available for scientific research purposes.