• Drug Bank
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Records 4421 to 4440 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
DB06623 mol2, pdbqt 89,27 -4,601 304,324 2,1633 6 3 0 -11,554 0,371607792237188 BBB+ HIA+ Caco2-
DB06626 mol2, pdbqt 99,46 -4,934 386,478 3,6168 5 2 0 3,6677 0,363037315341778 BBB+ HIA+ Caco2-
DB06636 mol2, pdbqt 188,66 -7,528 717,776 3,7365 13 2 2 -8,0133 0,12764741414274 BBB- HIA+ Caco2-
DB06637 mol2, pdbqt 35,88 -0,405 94,1166 -0,8979 2 2 0 -0,17417 0,720896217385292 BBB+ HIA+ Caco2+
DB06654 mol2, pdbqt 64,35 -3,376 302,348 1,5564 4 2 0 0,32877 0,683912974656603 BBB+ HIA+ Caco2+
DB06663 mol2, pdbqt 281,2 -7,849 1047,22 2,409 19 9 3 -11,089 0,127426305681043 BBB- HIA+ Caco2-
DB06684 mol2, pdbqt 102,29 -5,766 441,533 3,6629 7 2 0 1,0035 0,426326528307958 BBB+ HIA+ Caco2-
DB06689 mol2, pdbqt 37,3 -4,551 282,466 6,7191 2 1 1 -28,971 4,83745170363866E-02 BBB+ HIA+ Caco2+
DB06690 mol2, pdbqt 45,22 -0,514 44,013 -0,1785 3 0 0 -5,4545 0,496891020511837 BBB+ HIA+ Caco2+
DB06691 mol2, pdbqt 28,6 -2,146 285,39 1,9544 4 0 0 4,9657 0,548324762184232 BBB+ HIA+ Caco2+
DB06693 mol2, pdbqt 306,66 -4,413 390,518 3,6257 5 1 0 0,57751 0,541523395479879 BBB+ HIA+ Caco2-
DB06694 mol2, pdbqt 24,39 -3,636 244,381 3,3236 2 1 0 0,058892 0,612733829991742 BBB+ HIA+ Caco2-
DB06695 mol2, pdbqt 154,03 -5,97 627,744 5,2101 12 2 3 -22,741 8,14994471935498E-02 BBB+ HIA+ Caco2-
DB06696 mol2, pdbqt 297,27 -0,641 552,623 -7,1968 16 11 3 4,3576 0,665100159770217 BBB- HIA- Caco2-
DB06697 mol2, pdbqt 46,15 -3,25 298,377 2,9012 5 0 0 -5,5252 0,15173716248592 BBB+ HIA+ Caco2+
DB06698 mol2, pdbqt 24,92 -0,833 136,197 0,4992 2 1 0 1,088 0,857160584724632 BBB+ HIA+ Caco2+
DB06699 mol2, pdbqt 512,87 -11,766 1632,28 1,0736 34 17 3 1,2963 0,132749372602841 BBB- HIA+ Caco2-
DB06700 mol2, pdbqt 43,7 -2,19 263,38 2,3151 3 2 0 -0,2964 0,652313235039597 BBB+ HIA+ Caco2+
DB06701 mol2, pdbqt 38,33 -2,609 233,31 2,0902 3 1 0 -2,515 0,491751158002746 BBB+ HIA+ Caco2+
DB06702 mol2, pdbqt 49,77 -4,631 411,584 5,2879 4 1 1 2,8719 0,289171148764145 BBB+ HIA+ Caco2+
Page 
 of 344
Records 4421 to 4440 of 6870
These data are only available for scientific research purposes.