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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3833 3833.mol2, BDB-kin3833.pdbqt 154,34 30,71 -4,321 195,224 1,7207 3 0 0 0,98389 0,696677099163078
3834 3834.mol2, BDB-kin3834.pdbqt 167,84 17,82 -4,744 208,263 2,955 2 0 0 0,74337 0,609227033972639
3835 3835.mol2, BDB-kin3835.pdbqt 159,03 32,34 -4,554 210,235 2,7261 3 1 0 1,4462 0,683774847135451
3836 3836.mol2, BDB-kin3836.pdbqt 164,1 43,84 -5,463 209,251 2,4138 3 1 0 0,47457 0,53259126276363
3837 3837.mol2, BDB-kin3837.pdbqt 167,84 17,82 -5,46 208,263 3,0655 2 0 0 0,77893 0,323707681562779
3838 3838.mol2, BDB-kin3838.pdbqt 177,84 27,05 -5,134 224,262 2,6516 3 0 0 0,66291 0,457432228421661
3839 3839.mol2, BDB-kin3839.pdbqt 161,93 38,05 -4,82 210,235 2,3759 3 1 0 0,74583 0,616886895348211
3840 3840.mol2, BDB-kin3840.pdbqt 171 17,82 -5,852 228,681 3,3276 2 0 0 0,96631 0,506158662176607
3841 3841.mol2, BDB-kin3841.pdbqt 179,68 55,12 -5,129 238,245 2,2067 4 1 0 0,57022 0,571912875874497
3842 3842.mol2, BDB-kin3842.pdbqt 195,59 44,12 -5,257 252,272 2,6346 4 0 0 -1,6852 0,387688046077964
3843 3843.mol2, BDB-kin3843.pdbqt 181,85 60,91 -5,205 237,261 1,8089 4 1 0 1,3009 0,621170490049633
3844 3844.mol2, BDB-kin3844.pdbqt 179,25 63,64 -5,576 239,233 1,8 5 0 0 -4,5952 0,329582999310662
3845 3845.mol2, BDB-kin3845.pdbqt 164,1 43,84 -5,192 209,251 2,0443 3 1 0 0,83196 0,355112642007793
3846 3846.mol2, BDB-kin3846.pdbqt 167,84 17,82 -5,46 208,263 3,0655 2 0 0 0,77893 0,539512802604631
3847 3847.mol2, BDB-kin3847.pdbqt 177,84 27,05 -5,134 224,262 2,6516 3 0 0 0,66291 0,571790285527076
3848 3848.mol2, BDB-kin3848.pdbqt 161,93 38,05 -4,82 210,235 2,3759 3 1 0 0,74583 0,616886895348211
3849 3849.mol2, BDB-kin3849.pdbqt 171 17,82 -5,852 228,681 3,3276 2 0 0 0,96631 0,506158662176607
3851 3851.mol2, BDB-kin3851.pdbqt 195,59 44,12 -5,257 252,272 2,6346 4 0 0 -1,6852 0,387688046077964
3852 3852.mol2, BDB-kin3852.pdbqt 181,85 60,91 -5,205 237,261 1,8089 4 1 0 1,3009 0,621170490049633
3853 3853.mol2, BDB-kin3853.pdbqt 179,25 63,64 -5,576 239,233 1,8 5 0 0 -4,5952 0,329582999310662
These data are only available for scientific research purposes.