• Drug Bank
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 of 344
Records 4521 to 4540 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
DB06836 mol2, pdbqt 266,2 -2,483 389,883 1,9091 7 3 0 3,5704 0,664834064508895 BBB- HIA- Caco2-
DB06837 mol2, pdbqt 275,77 -3,054 370,404 1,3393 7 5 0 2,69 0,81819552212197 BBB+ HIA+ Caco2-
DB06838 mol2, pdbqt 148,05 -1,669 179,218 0,6055 3 1 0 -17,881 0,483282256677117 BBB+ HIA+ Caco2+
DB06839 mol2, pdbqt 166,11 -1,919 203,237 0,8805 5 2 0 -41,522 0,287049210766805 BBB+ HIA+ Caco2-
DB06840 mol2, pdbqt 184,72 -0,332 202,105 0,3054 4 2 0 -21,841 0,39093354474918 BBB+ HIA+ Caco2-
DB06841 mol2, pdbqt 332,52 -2,466 453,993 -0,2379 9 6 1 2,823 0,219792347664644 BBB- HIA+ Caco2-
DB06842 mol2, pdbqt 226,25 -3,165 278,351 2,3922 5 2 0 -2,3935 0,282779833756049 BBB+ HIA+ Caco2-
DB06843 mol2, pdbqt 208,35 -1,651 315,225 -3,375 10 3 0 -17,104 0,467328748388599 BBB+ HIA+ Caco2-
DB06844 mol2, pdbqt 314,64 -3,819 449,514 0,8559 8 2 0 6,6177 0,155656670415692 BBB+ HIA+ Caco2-
DB06845 mol2, pdbqt 292,65 -2,001 371,483 0,0613 7 4 0 5,2392 0,884741698511683 BBB+ HIA+ Caco2-
DB06847 mol2, pdbqt 296,42 -6,83 358,444 4,3405 5 2 0 -4,6833 0,219806920429301 BBB+ HIA+ Caco2+
DB06848 mol2, pdbqt 305,85 -6,042 424,588 4,2629 4 1 0 6,3929 0,451901087845096 BBB+ HIA+ Caco2+
DB06849 mol2, pdbqt 272,06 -3,931 348,445 2,8492 4 1 0 3,6333 0,759132197727782 BBB+ HIA+ Caco2-
DB06850 mol2, pdbqt 306,41 -2,271 385,51 0,4033 7 4 0 2,562 0,668842077581757 BBB+ HIA+ Caco2-
DB06851 mol2, pdbqt 157 -2,204 184,241 1,7238 2 1 0 -0,093305 0,696267487124553 BBB+ HIA+ Caco2+
DB06852 mol2, pdbqt 298,56 -3,588 419,915 2,5023 6 3 0 7,4214 0,747488142745407 BBB+ HIA+ Caco2-
DB06853 mol2, pdbqt 320,17 -2,541 399,537 0,7453 7 4 0 2,8854 0,821641127328192 BBB+ HIA+ Caco2-
DB06855 mol2, pdbqt 259,11 -4,007 342,373 0,7766 6 3 0 -1,4835 0,475339305317127 BBB+ HIA+ Caco2-
DB06856 mol2, pdbqt 287,52 -4,958 381,45 3,6476 5 4 0 -4,51 0,1484382833521 BBB+ HIA+ Caco2-
DB06857 mol2, pdbqt 251,37 -4,197 429,64 2,5367 5 4 0 1,6018 0,505755078638117 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4521 to 4540 of 6870
These data are only available for scientific research purposes.