• Drug Bank
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Records 1041 to 1060 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
DB01202 mol2, pdbqt 63,4 -0,974 170,211 -0,3649 4 1 0 5,0314 0,585885390589006 BBB+ HIA+ Caco2-
DB01203 mol2, pdbqt 81,95 -2,371 309,404 1,0543 5 4 0 8,7335 0,730391894302281 BBB- HIA+ Caco2-
DB01204 mol2, pdbqt 163,18 -3,414 444,486 -0,5382 10 8 1 1,0964 0,318401347760737 BBB- HIA+ Caco2-
DB01205 mol2, pdbqt 64,43 -4,403 303,292 0,9739 6 0 0 0,31705 0,615752847376937 BBB+ HIA+ Caco2+
DB01206 mol2, pdbqt 61,77 -2,538 233,698 1,8394 5 1 0 -1,215 7,34697738381783E-02 BBB+ HIA+ Caco2-
DB01207 mol2, pdbqt 71,78 -4,663 366,338 3,9549 5 1 0 -12,091 0,315542465804769 BBB+ HIA+ Caco2-
DB01208 mol2, pdbqt 98,9 -4,466 392,405 -1,4535 7 3 0 3,4555 0,715611188753066 BBB- HIA+ Caco2+
DB01209 mol2, pdbqt 46,25 -3,802 245,365 3,2359 2 2 0 -7,0946 0,400830246280851 BBB+ HIA+ Caco2+
DB01210 mol2, pdbqt 58,56 -3,35 291,39 2,2077 4 2 0 4,3103 0,853444766435831 BBB- HIA+ Caco2-
DB01211 mol2, pdbqt 182,91 -3,773 747,96 2,0998 14 4 2 11,057 0,452721095325802 BBB- HIA- Caco2-
DB01212 mol2, pdbqt 287,82 -2,953 554,588 -3,0111 15 4 2 16,694 0,632458476138749 BBB- HIA- Caco2-
DB01213 mol2, pdbqt 28,68 -0,533 82,1056 -0,1029 2 1 0 2,02 0,930191321488938 BBB+ HIA+ Caco2+
DB01214 mol2, pdbqt 67,79 -3,3 309,404 2,2395 5 2 0 6,7297 0,512121764781974 BBB- HIA+ Caco2-
DB01215 mol2, pdbqt 43,07 -6,268 294,744 2,3861 4 0 0 3,2434 0,555247906088249 BBB+ HIA+ Caco2+
DB01216 mol2, pdbqt 58,2 -4,433 372,551 3,1604 4 2 0 2,4066 0,66623543924011 BBB+ HIA+ Caco2-
DB01217 mol2, pdbqt 78,29 -4,166 293,373 2,6107 5 0 0 -4,1591 0,190454336982243 BBB+ HIA+ Caco2+
DB01218 mol2, pdbqt 23,47 -8,106 500,43 8,1762 2 1 2 -5,8161 4,89120930701545E-02 BBB+ HIA+ Caco2+
DB01219 mol2, pdbqt 120,73 -4,273 314,256 0,8126 9 1 0 2,9965 0,166673381700591 BBB+ HIA+ Caco2-
DB01220 mol2, pdbqt 198,38 -9,904 785,888 5,8431 14 5 3 6,1953 0,03645455850229 BBB- HIA- Caco2-
DB01221 mol2, pdbqt 29,1 -3,261 237,729 2,6353 2 1 0 -6,0528 0,434664861334748 BBB+ HIA+ Caco2+
Page 
 of 344
Records 1041 to 1060 of 6870
These data are only available for scientific research purposes.