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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3785 3785.mol2, BDB-kin3785.pdbqt 220,47 107,18 -5,475 363,263 3,5534 4 1 0 -0,40029 0,402871825226742
3786 3786.mol2, BDB-kin3786.pdbqt 219,52 50,95 -6,104 340,179 4,5944 4 1 0 -2,7894 0,247340357277708
3787 3787.mol2, BDB-kin3787.pdbqt 169,34 17,82 -2,28 208,263 2,7495 2 0 0 2,2941 0,867745913496062
3788 3788.mol2, BDB-kin3788.pdbqt 173,33 34,89 -3,982 222,246 3,1459 3 0 0 2,025 0,748320239044207
3789 3789.mol2, BDB-kin3789.pdbqt 155,95 28,68 -3,972 194,236 2,9022 2 1 0 -0,13417 0,594378877618672
3790 3790.mol2, BDB-kin3790.pdbqt 181,47 24,39 -3,694 222,29 2,5931 2 1 0 0,90018 0,720102004219396
3791 3791.mol2, BDB-kin3791.pdbqt 156,82 4,93 -5,43 193,248 3,1614 1 0 0 0,20617 0,497413004245125
3792 3792.mol2, BDB-kin3792.pdbqt 155,58 17,82 -2,852 194,236 2,1453 2 0 0 3,4029 0,895821402316774
3801 3801.mol2, BDB-kin3801.pdbqt 181,85 60,91 -5,205 237,261 1,8089 4 1 0 1,3009 0,298161835223824
3802 3802.mol2, BDB-kin3802.pdbqt 179,25 63,64 -5,576 239,233 1,8 5 0 0 -4,5952 0,329582999310662
3803 3803.mol2, BDB-kin3803.pdbqt 164,1 43,84 -5,192 209,251 2,0443 3 1 0 0,83196 0,591854403346322
3804 3804.mol2, BDB-kin3804.pdbqt 185,59 34,89 -5,8 236,273 2,5928 3 0 0 0,49276 0,498570339817588
3805 3805.mol2, BDB-kin3805.pdbqt 175,12 34,89 -5,44 222,246 2,6549 3 0 0 -1,3908 0,188232567014642
3806 3806.mol2, BDB-kin3806.pdbqt 177,29 41,61 -5,889 219,246 2,5572 3 0 0 -3,3632 0,314963788808158
3807 3807.mol2, BDB-kin3807.pdbqt 154,34 30,71 -3,436 195,224 3,1607 3 0 0 0,98389 0,725821159285169
3808 3808.mol2, BDB-kin3808.pdbqt 167,84 17,82 -5,46 208,263 3,0655 2 0 0 0,77893 0,539512802604631
3809 3809.mol2, BDB-kin3809.pdbqt 177,84 27,05 -5,134 224,262 2,6516 3 0 0 0,66291 0,571790285527076
3810 3810.mol2, BDB-kin3810.pdbqt 161,93 38,05 -4,82 210,235 2,3759 3 1 0 0,74583 0,616886895348211
3811 3811.mol2, BDB-kin3811.pdbqt 171 17,82 -5,852 228,681 3,3276 2 0 0 0,96631 0,506158662176607
3812 3812.mol2, BDB-kin3812.pdbqt 179,68 55,12 -5,129 238,245 2,2067 4 1 0 0,57022 0,571912875874497
These data are only available for scientific research purposes.