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Records 2301 to 2320 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
21061 BDB-kin111676.mol2, BDB-kin111676.pdbqt 440,12 125,92 -1,513 601,738 0,3952 11 1 2 6,1912 0,601171582738252
21062 BDB-kin111677.mol2, BDB-kin111677.pdbqt 453,38 135,15 -1,31 629,748 -0,0902 12 1 2 1,8494 0,538819646669558
21063 BDB-kin111678.mol2, BDB-kin111678.pdbqt 467,14 135,15 -1,58 643,775 0,3642 12 1 2 3,674 0,556782342311741
21064 BDB-kin111679.mol2, BDB-kin111679.pdbqt 425,98 119,44 -4,44 591,699 3,04 9 1 1 1,2092 0,42456666675875
21065 BDB-kin111680.mol2, BDB-kin111680.pdbqt 406,23 145,74 -2,97 573,637 0,7165 11 1 2 -0,85417 0,392529266285539
21066 BDB-kin111681.mol2, BDB-kin111681.pdbqt 390,32 156,74 -2,842 559,61 0,2886 11 2 2 0,15874 0,48266843099149
21067 BDB-kin111682.mol2, BDB-kin111682.pdbqt 431,82 122,68 -3,394 598,734 1,7967 10 1 1 1,0376 0,481952820669902
21068 BDB-kin111683.mol2, BDB-kin111683.pdbqt 363,72 128,67 -2,318 517,573 0,1316 10 1 1 -0,83745 0,454351978149955
21069 BDB-kin111684.mol2, BDB-kin111684.pdbqt 371,47 136,51 -2,859 529,584 0,5872 10 1 1 -2,4182 0,215801065457565
21070 BDB-kin111685.mol2, BDB-kin111685.pdbqt 367,48 119,44 -3,207 515,601 1,2956 9 1 1 -0,8375 0,434049531073367
21079 BDB-kin111686.mol2, BDB-kin111686.pdbqt 283,51 95,83 -7,063 375,406 3,7895 6 4 0 0,30235 7,61029292682387E-02
213775 BDB-kin222626.mol2, BDB-kin222626.pdbqt 326,25 71,45 -6,118 465,434 4,0859 7 0 0 -5,1357 0,215159434781342
213776 BDB-kin222627.mol2, BDB-kin222627.pdbqt 312,51 88,24 -6,176 450,423 3,4786 7 1 0 -5,1435 0,232601676935829
213777 BDB-kin222628.mol2, BDB-kin222628.pdbqt 315 66,58 -6,768 460,418 3,9143 7 0 0 -8,3601 0,202355273699191
213778 BDB-kin222629.mol2, BDB-kin222629.pdbqt 345,46 91,32 -6,442 492,46 3,8596 8 1 0 -4,369 0,201753080718936
213779 BDB-kin222630.mol2, BDB-kin222630.pdbqt 333,74 87,52 -6,186 481,501 4,3791 6 0 0 -5,001 0,19928826210348
213780 BDB-kin222631.mol2, BDB-kin222631.pdbqt 351,71 80,04 -4,425 501,471 4,4133 8 0 1 -2,6956 0,267716918993698
213781 BDB-kin222632.mol2, BDB-kin222632.pdbqt 378,39 68,7 -5,705 533,556 3,9343 8 0 1 -1,3709 0,244266992536186
213782 BDB-kin222633.mol2, BDB-kin222633.pdbqt 325,01 84,34 -5,655 466,422 3,5417 8 0 0 -5,1357 0,244376783423875
213783 BDB-kin222634.mol2, BDB-kin222634.pdbqt 311,27 101,13 -5,713 451,411 2,9344 8 1 0 -5,1435 0,258881290373923
These data are only available for scientific research purposes.