• Drug Bank
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Records 161 to 180 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
DB00275 mol2, pdbqt 129,81 -4,739 446,509 3,2081 9 3 0 -0,21994 0,434505348663817 BBB- HIA+ Caco2-
DB00276 mol2, pdbqt 88,7 -6,506 393,466 3,8016 6 2 0 -3,576 6,88456253173962E-02 BBB+ HIA+ Caco2+
DB00277 mol2, pdbqt 69,3 -1,481 180,167 -0,3112 6 1 0 2,5134 0,202258726871863 BBB+ HIA+ Caco2+
DB00278 mol2, pdbqt 188,59 -3,47 508,642 0,153 11 5 2 4,1211 0,663498196897996 BBB- HIA+ Caco2-
DB00279 mol2, pdbqt 92,78 -6,59 650,963 0,812 5 3 1 -10,339 0,132369818365442 BBB- HIA+ Caco2-
DB00280 mol2, pdbqt 59,22 -2,418 339,481 2,215 4 1 0 4,2355 0,870975802334499 BBB+ HIA+ Caco2+
DB00281 mol2, pdbqt 32,34 -2,369 234,342 2,1572 3 1 0 6,0164 0,198735643204986 BBB+ HIA+ Caco2+
DB00282 mol2, pdbqt 180,93 1,729 235,068 -9,6737 8 6 1 -10,855 0,489727586197063 BBB+ HIA- Caco2-
DB00283 mol2, pdbqt 12,47 -4,181 343,896 4,5988 2 0 0 3,9369 0,626039768972576 BBB+ HIA+ Caco2+
DB00284 mol2, pdbqt 329,01 0,666 645,605 -7,9144 19 14 3 -9,3077 0,286628727437285 BBB- HIA- Caco2-
DB00285 mol2, pdbqt 32,7 -2,504 277,406 2,5908 3 1 0 -0,32546 0,633332486619827 BBB+ HIA+ Caco2+
DB00287 mol2, pdbqt 96,22 -4,986 500,552 4,892 6 3 1 -21,468 0,214994093996133 BBB+ HIA+ Caco2+
DB00288 mol2, pdbqt 99,13 -4,697 502,577 2,2074 7 1 1 1,7976 0,530126040494507 BBB+ HIA+ Caco2-
DB00289 mol2, pdbqt 21,26 -3,127 255,36 3,1197 2 1 0 1,6035 0,467102192600945 BBB+ HIA+ Caco2+
DB00290 mol2, pdbqt 683,55 -2,699 1415,57 -9,9559 38 20 3 5,2992 0,476061816780907 BBB- HIA- Caco2-
DB00291 mol2, pdbqt 40,54 -3,572 304,216 3,2192 3 1 0 -1,5196 0,102121742161352 BBB+ HIA+ Caco2+
DB00292 mol2, pdbqt 44,12 -3,228 244,293 2,7715 4 0 0 -0,88362 0,557473614129713 BBB+ HIA+ Caco2+
DB00293 mol2, pdbqt 176,64 -4,072 458,494 0,5458 10 4 0 -5,3459 0,347697466322366 BBB- HIA- Caco2-
DB00294 mol2, pdbqt 37,3 -4,65 324,462 3,7811 2 1 0 -1,2457 0,243968053686291 BBB+ HIA+ Caco2+
DB00295 mol2, pdbqt 52,93 -2,547 285,342 1,2567 4 2 0 5,0881 0,912916629152541 BBB+ HIA+ Caco2+
Page 
 of 344
Records 161 to 180 of 6870
These data are only available for scientific research purposes.