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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3934 3934.mol2, BDB-kin3934.pdbqt 171,44 56,62 -6,222 226,302 2,6626 2 0 0 -1,4127 0,344493833321415
3935 3935.mol2, BDB-kin3935.pdbqt 185,33 43,12 -5,964 240,329 3,1988 2 0 0 0,97421 0,50074306133436
3936 3936.mol2, BDB-kin3936.pdbqt 276,19 55,59 -5,656 353,489 3,4127 4 0 0 2,4681 0,546534389640078
3937 3937.mol2, BDB-kin3937.pdbqt 233,11 62,38 -5,317 297,381 3,1005 4 0 0 1,0127 0,282960756367607
3938 3938.mol2, BDB-kin3938.pdbqt 168,28 58,28 -4,524 226,234 2,0302 4 2 0 0,74583 0,649862890756372
3939 3939.mol2, BDB-kin3939.pdbqt 184,19 47,28 -4,838 240,261 2,3059 4 1 0 0,646 0,604481720706381
3940 3940.mol2, BDB-kin3940.pdbqt 184,19 47,28 -4,838 240,261 2,3059 4 1 0 0,646 0,604481720706381
3941 3941.mol2, BDB-kin3941.pdbqt 200,1 36,28 -5,152 254,288 2,5816 4 0 0 0,66291 0,567428184887879
3942 3942.mol2, BDB-kin3942.pdbqt 180,56 38,05 -5,654 289,131 3,1011 3 1 0 -1,0442 0,380757718321505
3943 3943.mol2, BDB-kin3943.pdbqt 222,51 27,05 -6,477 329,196 4,052 3 0 0 -6,8605 0,144463045603733
3944 3944.mol2, BDB-kin3944.pdbqt 200,23 38,05 -5,532 250,3 3,4043 3 1 0 -2,1296 0,270968910685728
3945 3945.mol2, BDB-kin3945.pdbqt 190,6 27,05 -5,861 250,3 3,2721 3 0 0 1,7483 0,43358594167557
3946 3946.mol2, BDB-kin3946.pdbqt 200,1 36,28 -5,152 254,288 2,5816 4 0 0 0,66291 0,567428184887879
3947 3947.mol2, BDB-kin3947.pdbqt 168,28 58,28 -4,524 226,234 2,0302 4 2 0 0,74583 0,649862890756372
3948 3948.mol2, BDB-kin3948.pdbqt 175,84 36,28 -5,827 238,245 2,833 4 0 0 0,50914 0,492105364155208
3949 3949.mol2, BDB-kin3949.pdbqt 190,1 27,05 -5,478 238,289 2,9955 3 0 0 0,56229 0,521244627807699
3950 3950.mol2, BDB-kin3950.pdbqt 174,19 38,05 -5,164 224,262 2,7198 3 1 0 0,60739 0,562926971226034
3951 3951.mol2, BDB-kin3951.pdbqt 201,94 64,35 -5,147 268,271 2,1367 5 1 0 0,63083 0,571104166596478
3952 3952.mol2, BDB-kin3952.pdbqt 186,03 75,35 -4,833 254,244 1,861 5 2 0 0,57022 0,603111322840627
3953 3953.mol2, BDB-kin3953.pdbqt 217,85 53,35 -5,275 282,298 2,5646 5 0 0 -1,6852 0,383665122801895
These data are only available for scientific research purposes.