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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50443651 50443651.mol2, BDB-kin50443651.pdbqt 263,9 79,63 -6,075 333,394 3,2001 6 2 0 1,4122 0,177951922271592
50443652 50443652.mol2, BDB-kin50443652.pdbqt 252,9 79,63 -5,915 319,367 2,9818 6 2 0 2,0235 0,194642873189212
50443653 50443653.mol2, BDB-kin50443653.pdbqt 249,31 79,63 -6,059 319,367 3,1139 6 2 0 2,6139 0,193743524318186
50443654 50443654.mol2, BDB-kin50443654.pdbqt 239,14 79,63 -5,645 305,34 2,5274 6 2 0 2,7305 0,215474493411383
50443655 50443655.mol2, BDB-kin50443655.pdbqt 239,14 79,63 -5,645 305,34 2,5274 6 2 0 2,7305 0,215474493411383
50443656 50443656.mol2, BDB-kin50443656.pdbqt 226,9 92,52 -4,779 292,301 1,2398 7 2 0 1,6971 0,245545041482055
50443657 50443657.mol2, BDB-kin50443657.pdbqt 226,9 92,52 -4,779 292,301 1,2398 7 2 0 1,6971 0,245545041482055
50443658 50443658.mol2, BDB-kin50443658.pdbqt 226,9 92,52 -4,803 292,301 1,2938 7 2 0 1,6971 0,244455483180132
50443659 50443659.mol2, BDB-kin50443659.pdbqt 234,49 79,63 -5,888 309,303 2,3415 6 2 0 0,35714 0,170358553547623
50443660 50443660.mol2, BDB-kin50443660.pdbqt 234,49 79,63 -5,888 309,303 2,3415 6 2 0 0,35714 0,170358553547623
50443661 50443661.mol2, BDB-kin50443661.pdbqt 234,49 79,63 -5,888 309,303 2,3415 6 2 0 0,35714 0,170358553547623
50443662 50443662.mol2, BDB-kin50443662.pdbqt 228,14 79,63 -5,574 291,313 2,2407 6 2 0 1,6971 0,210891139866933
50443663 50443663.mol2, BDB-kin50443663.pdbqt 234,68 80,05 -5,39 306,324 2,0286 6 2 0 2,6573 0,379677158074456
50443664 50443664.mol2, BDB-kin50443664.pdbqt 230,92 89,28 -5,899 308,296 2,3613 7 2 0 -7,1369 0,17856795143199
50443665 50443665.mol2, BDB-kin50443665.pdbqt 236,66 105,65 -5,674 306,328 1,8039 7 3 0 1,6493 0,345562649436593
50443666 50443666.mol2, BDB-kin50443666.pdbqt 228,14 79,63 -5,073 291,313 2,1298 6 2 0 2,7213 0,403412267215005
50443667 50443667.mol2, BDB-kin50443667.pdbqt 233,27 104,97 -3,679 309,352 2,0914 6 1 0 2,4653 0,479293070848886
50443871 50443871.mol2, BDB-kin50443871.pdbqt 271,96 70,92 -2,165 367,383 1,3788 7 0 0 3,3448 0,863465351234588
50443924 50443924.mol2, BDB-kin50443924.pdbqt 299,93 100,76 -7,878 426,387 4,8728 9 1 0 -1,0442 0,216997712174088
50443925 50443925.mol2, BDB-kin50443925.pdbqt 301,44 82,3 -8,217 434,813 5,4682 7 1 1 -2,2632 0,165869159207945
These data are only available for scientific research purposes.