• Drug Bank
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 of 344
Records 1461 to 1480 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
DB01741 mol2, pdbqt 332,55 -5,436 462,436 0,9276 9 5 0 -0,65187 0,373333524477656 BBB+ HIA+ Caco2-
DB01742 mol2, pdbqt 120,11 -1,205 141,213 1,3234 2 0 0 3,3221 0,366106743040296 BBB+ HIA+ Caco2+
DB01743 mol2, pdbqt 983,15 -3,479 1336,38 -9,8352 39 23 3 3,3087 0,357730453429913 BBB- HIA- Caco2-
DB01744 mol2, pdbqt 17,07 -2,452 152,236 2,1793 1 0 0 -3,7075 0,475895172088261 BBB+ HIA+ Caco2+
DB01745 mol2, pdbqt 384,85 -3,681 522,624 2,373 9 3 1 2,7364 0,600271835145644 BBB+ HIA+ Caco2-
DB01746 mol2, pdbqt 109,4 -1,106 131,174 -1,864 3 2 0 -16,969 0,491827936805632 BBB+ HIA+ Caco2-
DB01747 mol2, pdbqt 598,68 -2,419 768,859 -0,0766 19 8 3 -4,0371 0,121904326457163 BBB- HIA- Caco2-
DB01748 mol2, pdbqt 213,09 -2,843 290,342 1,2805 5 2 0 3,39 0,887213837209664 BBB+ HIA+ Caco2-
DB01749 mol2, pdbqt 85,54 -0,226 90,1214 -0,0204 2 0 0 -4,8708 0,498235002876934 BBB+ HIA+ Caco2+
DB01750 mol2, pdbqt 145,72 -3,2 186,209 2,3372 2 1 0 -1,7208 0,110535530341472 BBB+ HIA+ Caco2+
DB01751 mol2, pdbqt 292,35 -7,659 747,814 3,9411 4 2 1 -0,84086 0,158340148406557 BBB+ HIA+ Caco2+
DB01752 mol2, pdbqt 264,95 -3,131 384,416 -3,851 11 5 1 -12,565 0,419925100254404 BBB- HIA+ Caco2-
DB01753 mol2, pdbqt 479,56 2,337 760,414 -11,559 25 10 3 -31,185 0,260437501046783 BBB+ HIA- Caco2-
DB01754 mol2, pdbqt 135,69 -1,852 191,185 0,4234 4 2 0 2,527 0,927123325401876 BBB+ HIA+ Caco2+
DB01755 mol2, pdbqt 315,98 -3,547 458,498 -1,8043 14 6 2 -6,0789 0,36770469600303 BBB- HIA+ Caco2-
DB01756 mol2, pdbqt 135,53 1,886 216,081 -5,6044 8 5 0 -20,702 0,49172362247171 BBB+ HIA- Caco2-
DB01758 mol2, pdbqt 164,77 -2,261 307,082 -1,4578 4 3 0 -10,404 0,462684194709536 BBB- HIA+ Caco2-
DB01759 mol2, pdbqt 103,63 -1,041 142,11 -1,1128 4 2 0 0,35933 0,281103184803754 BBB+ HIA+ Caco2-
DB01760 mol2, pdbqt 130,06 -1,464 152,196 1,1802 3 0 0 -1,8487 0,549765271980163 BBB+ HIA+ Caco2+
DB01761 mol2, pdbqt 381,46 -4,867 506,574 5,2692 6 2 2 -3,2352 0,210980703662968 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1461 to 1480 of 6870
These data are only available for scientific research purposes.