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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3813 3813.mol2, BDB-kin3813.pdbqt 209,35 44,12 -5,557 266,299 3,0409 4 0 0 -3,3137 0,321767827117828
3814 3814.mol2, BDB-kin3814.pdbqt 181,85 60,91 -5,205 237,261 1,8089 4 1 0 1,3009 0,621170490049633
3815 3815.mol2, BDB-kin3815.pdbqt 179,25 63,64 -5,576 239,233 1,8 5 0 0 -4,5952 0,329582999310662
3816 3816.mol2, BDB-kin3816.pdbqt 164,1 43,84 -5,192 209,251 2,0443 3 1 0 0,83196 0,284090113606234
3817 3817.mol2, BDB-kin3817.pdbqt 185,59 34,89 -5,8 236,273 2,5928 3 0 0 0,49276 0,498570339817588
3818 3818.mol2, BDB-kin3818.pdbqt 175,12 34,89 -5,44 222,246 2,6549 3 0 0 -1,3908 0,250976756019523
3819 3819.mol2, BDB-kin3819.pdbqt 177,29 41,61 -5,889 219,246 2,5572 3 0 0 -3,3632 0,314963788808158
3820 3820.mol2, BDB-kin3820.pdbqt 154,34 30,71 -4,321 195,224 1,7207 3 0 0 0,98389 0,696677099163078
3821 3821.mol2, BDB-kin3821.pdbqt 167,84 17,82 -5,46 208,263 3,0655 2 0 0 0,77893 0,539512802604631
3822 3822.mol2, BDB-kin3822.pdbqt 177,84 27,05 -5,134 224,262 2,6516 3 0 0 0,66291 0,571790285527076
3823 3823.mol2, BDB-kin3823.pdbqt 161,93 38,05 -4,82 210,235 2,3759 3 1 0 0,74583 0,616886895348211
3824 3824.mol2, BDB-kin3824.pdbqt 171 17,82 -5,852 228,681 3,3276 2 0 0 0,96631 0,506158662176607
3825 3825.mol2, BDB-kin3825.pdbqt 179,68 55,12 -5,129 238,245 2,2067 4 1 0 0,57022 0,571912875874497
3826 3826.mol2, BDB-kin3826.pdbqt 195,59 44,12 -5,257 252,272 2,6346 4 0 0 -1,6852 0,387688046077964
3827 3827.mol2, BDB-kin3827.pdbqt 181,85 60,91 -5,205 237,261 1,8089 4 1 0 1,3009 0,621170490049633
3828 3828.mol2, BDB-kin3828.pdbqt 179,25 63,64 -5,576 239,233 1,8 5 0 0 -4,5952 0,329582999310662
3829 3829.mol2, BDB-kin3829.pdbqt 164,1 43,84 -5,192 209,251 2,0443 3 1 0 0,83196 0,102272440898244
3830 3830.mol2, BDB-kin3830.pdbqt 185,59 34,89 -5,8 236,273 2,5928 3 0 0 0,49276 0,299142203890552
3831 3831.mol2, BDB-kin3831.pdbqt 175,12 34,89 -5,44 222,246 2,6549 3 0 0 -1,3908 0,235290708768303
3832 3832.mol2, BDB-kin3832.pdbqt 177,29 41,61 -5,889 219,246 2,5572 3 0 0 -3,3632 0,314963788808158
These data are only available for scientific research purposes.