• Drug Bank
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Records 621 to 640 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
DB00763 mol2, pdbqt 47,36 -1,174 114,172 -0,1957 2 1 0 0,68107 0,816882121226464 BBB+ HIA+ Caco2+
DB00764 mol2, pdbqt 74,6 -4,375 427,366 3,1402 4 2 0 4,0122 0,187393225270018 BBB+ HIA+ Caco2+
DB00765 mol2, pdbqt 83,55 -1,354 195,217 -1,5143 4 3 0 -3,6955 0,299326221735718 BBB- HIA+ Caco2-
DB00766 mol2, pdbqt 87,07 -0,389 199,161 -1,3962 6 2 0 2,8065 0,953206307321868 BBB- HIA+ Caco2-
DB00768 mol2, pdbqt 49,77 -3,355 337,418 1,8025 4 1 0 3,175 0,496829067789969 BBB+ HIA+ Caco2+
DB00769 mol2, pdbqt 104,14 -3,319 475,624 2,0075 7 2 0 6,6112 0,254453219312061 BBB+ HIA+ Caco2-
DB00770 mol2, pdbqt 94,83 -3,811 354,485 4,045 5 3 0 -16,472 0,352037590702107 BBB+ HIA+ Caco2+
DB00771 mol2, pdbqt 49,77 -2,661 352,452 1,4105 4 1 0 8,1454 0,874454026052564 BBB+ HIA- Caco2+
DB00772 mol2, pdbqt 138,26 -2,531 330,361 2,0313 6 0 0 -11,494 0,05724160582333 BBB+ HIA+ Caco2-
DB00773 mol2, pdbqt 160,83 -3,952 588,56 0,6726 13 3 2 -1,9839 0,304473251342646 BBB- HIA+ Caco2-
DB00774 mol2, pdbqt 135,12 -2,581 331,295 -0,1372 7 3 0 -4,8009 0,453946924922347 BBB- HIA+ Caco2-
DB00775 mol2, pdbqt 113,11 -4,412 440,603 1,5443 7 3 0 -8,7636 0,337966909664913 BBB+ HIA+ Caco2-
DB00776 mol2, pdbqt 63,4 -4,95 252,272 2,6201 4 1 0 2,0474 0,399721690187045 BBB+ HIA+ Caco2+
DB00777 mol2, pdbqt 48,85 -5,127 340,49 4,2314 3 0 0 6,4887 0,277306420051026 BBB+ HIA+ Caco2+
DB00778 mol2, pdbqt 216,89 -4,395 837,053 2,331 17 5 2 7,111 0,405047395159453 BBB- HIA- Caco2-
DB00779 mol2, pdbqt 70,5 -2,673 232,238 0,5357 5 1 0 1,5778 0,184036523444548 BBB+ HIA+ Caco2+
DB00780 mol2, pdbqt 38,05 -1,965 136,197 0,3305 2 2 0 -3,3329 0,107970655231884 BBB+ HIA+ Caco2+
DB00781 mol2, pdbqt 490,66 -4,569 1203,49 -6,0035 29 18 3 -4,0805 0,20414269952164 BBB- HIA+ Caco2-
DB00782 mol2, pdbqt 38,77 -4,596 368,495 2,9133 4 0 0 4,9937 0,688711477700882 BBB+ HIA- Caco2+
DB00783 mol2, pdbqt 40,46 -4,02 272,387 3,8766 2 2 0 0,10838 0,56077090863534 BBB+ HIA+ Caco2+
Page 
 of 344
Records 621 to 640 of 6870
These data are only available for scientific research purposes.