• Drug Bank
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Records 741 to 760 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
DB00888 mol2, pdbqt 3,24 -1,209 156,055 1,1356 1 0 0 4,5307 0,125175743086327 BBB+ HIA+ Caco2+
DB00889 mol2, pdbqt 50,16 -3,212 312,416 1,7309 5 1 0 3,7567 0,51480997500939 BBB+ HIA+ Caco2+
DB00890 mol2, pdbqt 40,46 -2,93 266,339 4,2726 2 2 0 -2,0008 9,27823164270374E-02 BBB- HIA+ Caco2+
DB00891 mol2, pdbqt 93,46 -2,755 249,293 0,6319 5 2 0 3,6885 0,197126784561761 BBB+ HIA+ Caco2+
DB00892 mol2, pdbqt 64,79 -2,714 308,42 2,6528 5 1 0 2,8458 0,243856904557561 BBB+ HIA+ Caco2+
DB00894 mol2, pdbqt 43,37 -3,745 300,397 2,7066 3 0 0 -2,7294 0,431347906774292 BBB+ HIA+ Caco2+
DB00895 mol2, pdbqt 196,15 -2,57 480,584 -3,3123 10 6 1 -11,681 0,3736960130733 BBB- HIA- Caco2-
DB00896 mol2, pdbqt 54,37 -4,522 370,531 3,9467 3 1 0 3,7302 0,635103515560433 BBB+ HIA+ Caco2+
DB00897 mol2, pdbqt 43,07 -6,632 343,216 3,2255 4 0 0 3,2065 0,494122021914874 BBB+ HIA+ Caco2+
DB00898 mol2, pdbqt 20,23 -0,477 46,0686 0,0505 1 1 0 -2,315 6,98482039323222E-02 BBB+ HIA+ Caco2+
DB00899 mol2, pdbqt 76,15 -2,276 376,451 2,0301 7 0 0 5,0475 0,855341952493015 BBB+ HIA+ Caco2-
DB00900 mol2, pdbqt 88,74 -2,767 236,23 -0,6773 7 2 0 -0,89028 0,600810212116716 BBB+ HIA+ Caco2-
DB00902 mol2, pdbqt 31,78 -4,341 296,437 4,2005 2 0 0 6,1715 0,241978187341533 BBB+ HIA+ Caco2+
DB00903 mol2, pdbqt 63,6 -4,168 303,14 3,1325 4 1 0 -3,4635 0,140498674247946 BBB- HIA+ Caco2+
DB00904 mol2, pdbqt 39,82 -2,004 293,369 2,2259 4 0 0 4,3913 0,905330956342299 BBB+ HIA+ Caco2+
DB00905 mol2, pdbqt 89,79 -4,149 415,572 4,0878 5 4 0 -5,1788 0,317528519725764 BBB+ HIA+ Caco2-
DB00906 mol2, pdbqt 97,02 -4,421 375,555 2,6673 3 1 0 2,6989 0,689773281902986 BBB+ HIA+ Caco2-
DB00907 mol2, pdbqt 55,84 -2,549 303,357 1,8508 5 0 0 -0,52972 0,222031289430694 BBB+ HIA+ Caco2+
DB00908 mol2, pdbqt 45,59 -3,097 324,423 2,6104 4 1 0 0,87864 0,722965631598309 BBB+ HIA+ Caco2+
DB00909 mol2, pdbqt 94,57 -3,472 212,229 0,4386 5 1 0 -0,6375 0,60040114032698 BBB+ HIA+ Caco2-
Page 
 of 344
Records 741 to 760 of 6870
These data are only available for scientific research purposes.