• Drug Bank
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 of 344
Records 4301 to 4320 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
DB04811 mol2, pdbqt 257,36 -4,108 314,343 0,5598 4 0 0 -0,27473 0,578672385586705 BBB+ HIA+ Caco2+
DB04835 mol2, pdbqt 66,54 -3,552 513,675 4,9165 6 1 1 -4,4011 0,254026793207297 BBB+ HIA+ Caco2-
DB04837 mol2, pdbqt 23,47 -2,989 289,805 3,0552 2 1 0 3,9418 0,672996160830694 BBB+ HIA+ Caco2+
DB04838 mol2, pdbqt 46,53 -3,245 276,375 2,9264 3 1 0 -3,7379 0,259884211031208 BBB+ HIA+ Caco2+
DB04839 mol2, pdbqt 60,44 -5,101 416,943 3,7275 4 0 0 1,6827 0,314193013082395 BBB+ HIA+ Caco2+
DB04840 mol2, pdbqt 53,11 -1,204 175,234 0,4135 3 2 0 2,9336 0,949632363573775 BBB+ HIA+ Caco2+
DB04841 mol2, pdbqt 6,48 -4,427 404,502 5,4576 2 0 1 5,1707 0,498702865001842 BBB+ HIA+ Caco2+
DB04842 mol2, pdbqt 35,58 -5,842 475,581 5,5386 4 1 1 9,7036 0,210023783910222 BBB+ HIA+ Caco2-
DB04843 mol2, pdbqt 49,77 -2,385 340,441 1,2782 4 1 0 5,5598 0,891486469587478 BBB+ HIA- Caco2+
DB04844 mol2, pdbqt 38,77 -2,754 317,427 3,3076 4 0 0 3,9995 0,297532466002799 BBB+ HIA+ Caco2+
DB04845 mol2, pdbqt 140,29 -4,55 506,705 4,0051 7 3 1 1,5717 0,471141767622193 BBB- HIA+ Caco2-
DB04846 mol2, pdbqt 90,9 -3,52 379,499 1,9847 7 3 0 10,51 0,801621485859455 BBB- HIA+ Caco2-
DB04854 mol2, pdbqt 111,45 -3,955 316,38 3,1245 5 1 0 -2,415 0,41751455733299 BBB+ HIA+ Caco2+
DB04855 mol2, pdbqt 97,23 -8,42 556,765 6,7266 7 1 2 0,70822 0,165589084063085 BBB+ HIA+ Caco2-
DB04861 mol2, pdbqt 70,95 -4,433 405,44 2,6271 5 3 0 0,42835 0,552874340584807 BBB+ HIA+ Caco2-
DB04865 mol2, pdbqt 123,99 -4,384 545,627 3,6515 10 2 1 -3,5838 0,259504736482987 BBB- HIA+ Caco2-
DB04868 mol2, pdbqt 97,62 -8,55 529,525 5,1058 8 2 2 -4,6352 0,134991318145531 BBB+ HIA+ Caco2-
DB04871 mol2, pdbqt 12,03 -3,057 195,692 3,1359 1 1 0 1,1494 0,759511912579458 BBB+ HIA+ Caco2+
DB04876 mol2, pdbqt 76,36 -2,671 303,405 0,5612 5 2 0 0,65935 0,754095319872216 BBB+ HIA+ Caco2-
DB04877 mol2, pdbqt 99,89 -6,624 704,909 6,2424 9 2 2 2,7216 0,186303158406937 BBB- HIA+ Caco2+
Page 
 of 344
Records 4301 to 4320 of 6870
These data are only available for scientific research purposes.