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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50447089 50447089.mol2, BDB-kin50447089.pdbqt 269,74 74,24 -4,122 374,827 1,3329 7 1 0 2,7364 0,74254755524583
50447091 50447091.mol2, BDB-kin50447091.pdbqt 269,74 74,24 -4,122 374,827 1,3329 7 1 0 2,7364 0,74254755524583
50447092 50447092.mol2, BDB-kin50447092.pdbqt 260,67 74,24 -3,7 358,372 0,8277 7 1 0 1,3438 0,733090807158294
50447093 50447093.mol2, BDB-kin50447093.pdbqt 254,32 74,24 -3,386 340,382 0,7269 7 1 0 2,6838 0,82498251213939
50447094 50447094.mol2, BDB-kin50447094.pdbqt 281,73 57,17 -3,725 364,448 1,732 6 1 0 3,0482 0,78444760294656
50447098 50447098.mol2, BDB-kin50447098.pdbqt 265,32 74,24 -3,754 354,409 1,4059 7 1 0 3,2316 0,795971616367491
50447099 50447099.mol2, BDB-kin50447099.pdbqt 275,49 74,24 -3,873 368,436 1,3496 7 1 0 2,7193 0,767950561388469
50447100 50447100.mol2, BDB-kin50447100.pdbqt 265,32 74,24 -3,764 354,409 1,0516 7 1 0 3,4361 0,801117424308464
50447101 50447101.mol2, BDB-kin50447101.pdbqt 431,54 31,2 -6,491 521,106 3,8919 4 0 1 2,6461 0,216094945698843
50447102 50447102.mol2, BDB-kin50447102.pdbqt 486,58 31,2 -6,583 577,214 5,3429 4 0 2 -2,7436 8,45415871669405E-02
50447103 50447103.mol2, BDB-kin50447103.pdbqt 413,16 31,2 -3,992 478,682 3,9492 4 0 0 2,5133 0,567466785155721
50447144 50447144.mol2, BDB-kin50447144.pdbqt 298,31 58,04 -6,215 410,303 5,3172 4 2 1 -0,17228 0,16660512646117
50447157 50447157.mol2, BDB-kin50447157.pdbqt 267,68 40,71 -4,934 339,869 4,0368 3 2 0 3,1912 0,599713569403506
50447158 50447158.mol2, BDB-kin50447158.pdbqt 256,53 66,73 -4,016 326,83 1,9724 4 3 0 0,55822 0,652001975962745
50447159 50447159.mol2, BDB-kin50447159.pdbqt 254,36 60,94 -3,94 327,814 2,3702 4 3 0 3,2627 0,78006402315799
50447160 50447160.mol2, BDB-kin50447160.pdbqt 294,01 40,71 -5,47 373,886 4,3087 3 2 0 3,4003 0,516273089062638
50447161 50447161.mol2, BDB-kin50447161.pdbqt 288,29 40,71 -5,721 365,907 4,4463 3 2 0 -2,4067 0,269183077607966
50447162 50447162.mol2, BDB-kin50447162.pdbqt 247,01 40,71 -4,911 323,826 3,4203 3 2 0 3,2598 0,646429975160519
50447163 50447163.mol2, BDB-kin50447163.pdbqt 271,27 40,71 -4,877 339,869 3,9696 3 2 0 1,8624 0,580447767928631
50447164 50447164.mol2, BDB-kin50447164.pdbqt 257,51 40,71 -4,825 325,842 3,6562 3 2 0 3,93 0,647593879074509
These data are only available for scientific research purposes.