• Drug Bank
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Records 4601 to 4620 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
DB06920 mol2, pdbqt 352,34 -5,562 484,914 2,8671 8 2 0 4,1607 0,494817888286811 BBB+ HIA+ Caco2-
DB06921 mol2, pdbqt 325,34 -1,423 454,482 -1,325 8 4 0 -21,921 0,40240142317437 BBB+ HIA+ Caco2-
DB06922 mol2, pdbqt 274,38 -4,532 389,362 2,6043 7 2 0 0,030106 0,250614292077182 BBB+ HIA+ Caco2-
DB06923 mol2, pdbqt 198,28 -3,532 249,316 2,4814 3 3 0 0,6175 0,702795726609594 BBB+ HIA+ Caco2-
DB06924 mol2, pdbqt 161,05 -1,944 209,2 0,2837 5 1 0 -6,7047 0,479975531958034 BBB+ HIA+ Caco2-
DB06925 mol2, pdbqt 304,35 -7,18 422,409 5,1044 5 2 1 -6,5501 0,174513323056418 BBB+ HIA+ Caco2-
DB06926 mol2, pdbqt 273,07 -3,924 296,449 5,4451 3 2 1 -22,059 0,291302053728177 BBB+ HIA+ Caco2+
DB06927 mol2, pdbqt 205,48 -4,612 265,267 3,1751 4 2 0 -8,1544 0,216530266251398 BBB+ HIA+ Caco2-
DB06928 mol2, pdbqt 245,4 -1,717 426,138 0,3044 6 3 0 -18,448 0,417415269495514 BBB+ HIA- Caco2-
DB06929 mol2, pdbqt 253,17 -1,752 316,404 0,7294 6 3 0 4,5517 0,921237711902893 BBB+ HIA+ Caco2-
DB06930 mol2, pdbqt 253,78 -3,056 318,379 1,9839 5 3 0 4,7838 0,865388760654545 BBB+ HIA+ Caco2-
DB06931 mol2, pdbqt 211,78 -0,322 304,215 -3,896 7 5 0 -28,695 0,475986765395229 BBB+ HIA- Caco2-
DB06932 mol2, pdbqt 248,4 -5,691 334,378 2,6867 6 2 0 -1,7702 0,20567937787974 BBB+ HIA+ Caco2+
DB06933 mol2, pdbqt 323,59 -6,056 432,547 4,7873 6 2 0 1,4807 0,374928308610934 BBB+ HIA+ Caco2+
DB06934 mol2, pdbqt 135,05 -2,242 170,638 2,0327 1 1 0 -2,6114 0,144239661587276 BBB+ HIA+ Caco2+
DB06935 mol2, pdbqt 169,82 -4,343 234,201 3,0055 2 1 0 -3,1842 0,397296816067396 BBB+ HIA+ Caco2+
DB06936 mol2, pdbqt 277,93 -2,182 344,457 1,4021 6 3 0 6,706 0,894105438447677 BBB+ HIA+ Caco2-
DB06937 mol2, pdbqt 175,12 -3,104 243,217 2,0999 5 3 0 0,66276 0,738956507418763 BBB+ HIA+ Caco2-
DB06938 mol2, pdbqt 322,28 -6,721 461,83 4,5009 7 3 0 -4,7012 0,190001841819436 BBB+ HIA+ Caco2+
DB06939 mol2, pdbqt 253,07 -2,174 327,442 1,0375 5 1 0 -0,53238 0,622680421062445 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4601 to 4620 of 6870
These data are only available for scientific research purposes.