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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
125448 BDB-kin127433.mol2, BDB-kin127433.pdbqt 302,03 154,25 -5,128 419,44 1,3025 10 2 0 -1,467 0,222724218694033
125449 BDB-kin127434.mol2, BDB-kin127434.pdbqt 287,78 144,16 -4,718 405,869 1,3862 9 3 0 2,5506 0,655494156147434
125450 BDB-kin127435.mol2, BDB-kin127435.pdbqt 376,41 147,84 -3,845 516,6 1,6229 11 2 2 4,7533 0,625091810758512
125451 BDB-kin127436.mol2, BDB-kin127436.pdbqt 387,41 147,84 -4,223 530,627 1,9476 11 2 2 4,0733 0,575366202250258
125452 BDB-kin127437.mol2, BDB-kin127437.pdbqt 286,54 157,05 -3,615 406,857 0,4763 10 3 0 1,9314 0,735104502347689
125453 BDB-kin127438.mol2, BDB-kin127438.pdbqt 343,5 157,49 -3,91 470,556 0,7935 11 2 1 4,0823 0,409830154350267
125454 BDB-kin127439.mol2, BDB-kin127439.pdbqt 361,98 151,5 -3,977 504,017 1,7313 11 2 2 6,0262 0,379805046369995
125455 BDB-kin127440.mol2, BDB-kin127440.pdbqt 381,16 151,5 -4,979 519,632 2,3448 11 2 2 5,08 0,25102855887056
125456 BDB-kin127441.mol2, BDB-kin127441.pdbqt 302,47 131,96 -5,132 399,429 2,4587 9 3 0 -7,211 0,187751956326067
125457 BDB-kin127442.mol2, BDB-kin127442.pdbqt 292,3 131,96 -4,843 385,402 2,0638 9 3 0 -4,7228 0,204134639070953
125458 BDB-kin127443.mol2, BDB-kin127443.pdbqt 392,37 160,73 -5,382 571,559 1,9324 12 2 2 -2,4156 0,144723885728932
125459 BDB-kin127445.mol2, BDB-kin127445.pdbqt 392,37 160,73 -5,382 571,559 1,9324 12 2 2 -2,4156 0,144723885728932
125460 BDB-kin127446.mol2, BDB-kin127446.pdbqt 295,74 131,96 -5,174 425,345 1,9772 9 3 0 -11,339 0,182488197882846
125461 BDB-kin127447.mol2, BDB-kin127447.pdbqt 334,03 124,2 -4,438 440,481 1,7201 10 2 0 0,60412 0,33173472677781
125462 BDB-kin127448.mol2, BDB-kin127448.pdbqt 384,24 160,73 -4,302 534,043 1,6993 12 2 2 5,337 0,342998637469697
125463 BDB-kin127449.mol2, BDB-kin127449.pdbqt 361,98 151,5 -4,284 504,017 1,7693 11 2 2 5,3365 0,365146203561791
125464 BDB-kin127450.mol2, BDB-kin127450.pdbqt 367,58 173,62 -3,865 500,586 0,8031 13 2 2 5,569 0,391137936161096
125465 BDB-kin127451.mol2, BDB-kin127451.pdbqt 299,56 131,96 -5,274 421,382 2,4629 9 3 0 -10,037 0,177934605374003
125466 BDB-kin127452.mol2, BDB-kin127452.pdbqt 386,02 160,73 -4,761 553,568 1,7936 12 2 2 -1,7015 0,177993934138482
125467 BDB-kin127453.mol2, BDB-kin127453.pdbqt 289,39 131,96 -4,86 407,355 1,8764 9 3 0 -11,339 0,197494873047607
These data are only available for scientific research purposes.