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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50400344 BDB-kin50401253.mol2, BDB-kin50401253.pdbqt 337,99 125,14 -4,795 460,557 0,9901 10 2 0 4,4753 0,617620158341148
50400345 BDB-kin50401254.mol2, BDB-kin50401254.pdbqt 372,09 108,92 -5,477 482,583 2,7776 10 2 0 -31,556 0,255190692267728
50400346 BDB-kin50401255.mol2, BDB-kin50401255.pdbqt 298,31 91,41 -4,455 382,466 1,1186 8 3 0 2,4317 0,699517338505103
50400347 BDB-kin50401256.mol2, BDB-kin50401256.pdbqt 365,43 108,4 -5,251 474,567 1,541 10 2 0 3,2146 0,546897013687858
50400348 BDB-kin50401257.mol2, BDB-kin50401257.pdbqt 354,43 108,4 -4,873 460,54 1,2163 10 2 0 2,5482 0,589812806151319
50400349 BDB-kin50401261.mol2, BDB-kin50401261.pdbqt 365,43 108,4 -5,583 474,567 1,9977 10 2 0 3,2146 0,512302680292609
50400350 BDB-kin50401262.mol2, BDB-kin50401262.pdbqt 354,43 108,4 -5,205 460,54 1,673 10 2 0 2,5482 0,554432588532931
50400351 BDB-kin50401263.mol2, BDB-kin50401263.pdbqt 338,16 99,69 -4,753 438,53 1,7529 9 2 0 3,7672 0,634926826884517
50400352 BDB-kin50401265.mol2, BDB-kin50401265.pdbqt 348,99 125,14 -5,173 474,584 1,3148 10 2 0 5,1 0,565137706192094
50400353 BDB-kin50401266.mol2, BDB-kin50401266.pdbqt 383,09 108,92 -5,855 496,61 3,1023 10 2 0 -30,852 0,229120985631937
50400354 BDB-kin50401268.mol2, BDB-kin50401268.pdbqt 372,09 108,92 -5,477 482,583 2,7776 10 2 0 -31,556 0,255190692267728
50400355 BDB-kin50401269.mol2, BDB-kin50401269.pdbqt 358,33 108,92 -5,365 468,556 2,0521 10 2 0 -31,769 0,273760818663747
50400356 BDB-kin50401270.mol2, BDB-kin50401270.pdbqt 284,55 91,41 -4,343 368,44 0,3931 8 3 0 2,3793 0,722666208288556
50400357 BDB-kin50420703.mol2, BDB-kin50420703.pdbqt 324,23 125,14 -4,683 446,53 0,2646 10 2 0 4,2897 0,645952039814256
50400358 BDB-kin50420714.mol2, BDB-kin50420714.pdbqt 338,62 111,72 -4,742 439,518 0,838 10 3 0 2,9767 0,63378010080295
50400359 BDB-kin50420719.mol2, BDB-kin50420719.pdbqt 340,67 108,4 -5,093 446,513 0,9475 10 2 0 2,3536 0,579567779608884
50401152 BDB-kin50420730.mol2, BDB-kin50420730.pdbqt 250,3 123,65 -4,002 346,414 0,623 8 2 0 2,8057 0,778348189068413
50401249 BDB-kin50420737.mol2, BDB-kin50420737.pdbqt 242,76 128,52 -4,197 328,766 1,4474 8 3 0 -0,89691 0,304187189300276
50401252 BDB-kin50427319.mol2, BDB-kin50427319.pdbqt 362,14 169,52 -4,789 505,99 0,7653 12 3 2 3,26 0,336343681370646
50401253 BDB-kin50427320.mol2, BDB-kin50427320.pdbqt 350,58 166,28 -6,086 490,975 2,1462 11 3 1 -1,5423 0,164109489492052
These data are only available for scientific research purposes.