Page 
 of 213
Records 2741 to 2760 of 4258
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50030448 BDB-kin50043387.mol2, BDB-kin50043387.pdbqt 619,92 178,36 -5,676 804,027 5,1075 13 3 3 -0,8866 0,163076175359034
50035526 BDB-kin50043408.mol2, BDB-kin50043408.pdbqt 378,98 140,21 -7,532 502,597 4,5993 9 3 1 4,8152 0,318904347058834
50039846 BDB-kin50043409.mol2, BDB-kin50043409.pdbqt 319,38 131,96 -5,405 409,492 3,1656 9 3 0 -1,8806 0,193491847397152
50039847 BDB-kin50043411.mol2, BDB-kin50043411.pdbqt 308,38 131,96 -5,037 395,465 2,7381 9 3 0 -1,9586 0,212838840420756
50039850 BDB-kin50044977.mol2, BDB-kin50044977.pdbqt 282,36 131,96 -4,534 367,412 1,9786 9 3 0 -1,7916 0,247459758880658
50039948 BDB-kin50055864.mol2, BDB-kin50055864.pdbqt 292,3 131,96 -4,843 385,402 2,0638 9 3 0 -4,7228 0,204134639070953
50039950 BDB-kin50058745.mol2, BDB-kin50058745.pdbqt 292,3 131,96 -4,843 385,402 2,0638 9 3 0 -4,7228 0,204134639070953
50039952 BDB-kin50058746.mol2, BDB-kin50058746.pdbqt 278,54 131,96 -4,434 371,375 1,4929 9 3 0 -3,1187 0,230140825148227
50039953 BDB-kin50058747.mol2, BDB-kin50058747.pdbqt 278,54 131,96 -4,434 371,375 1,4929 9 3 0 -3,1187 0,230140825148227
50039955 BDB-kin50058748.mol2, BDB-kin50058748.pdbqt 267,54 131,96 -4,363 357,348 1,2062 9 3 0 -2,2953 0,24735602643058
50040342 BDB-kin50058749.mol2, BDB-kin50058749.pdbqt 317,48 108,17 -5,813 529,256 5,6078 7 2 2 1,3744 0,168476229680667
50040361 BDB-kin50058750.mol2, BDB-kin50058750.pdbqt 324,74 126,63 -4,181 431,515 4,0174 9 2 0 3,1958 0,36465216439643
50040381 BDB-kin50058751.mol2, BDB-kin50058751.pdbqt 298,85 108,17 -4,979 450,36 4,8826 7 2 0 1,3744 0,255285831670997
50040397 BDB-kin50059642.mol2, BDB-kin50059642.pdbqt 328,57 125,39 -5,256 561,254 4,5149 9 2 1 -1,8491 0,13116304289663
50040424 BDB-kin50059648.mol2, BDB-kin50059648.pdbqt 335,83 143,85 -3,624 463,514 2,9245 11 2 1 1,1451 0,360088184652401
50042922 BDB-kin50068561.mol2, BDB-kin50068561.pdbqt 287,93 157,69 -4,48 393,535 3,2249 7 2 0 5,4089 0,402532961668814
50042923 BDB-kin50072961.mol2, BDB-kin50072961.pdbqt 342,75 73,12 -9,422 467,531 5,504 6 0 1 -3,2355 8,65333884522936E-02
50043385 BDB-kin50072963.mol2, BDB-kin50072963.pdbqt 293,59 92,26 -5,073 407,497 1,6955 7 1 0 6,8698 0,637235658321459
50043386 BDB-kin50072964.mol2, BDB-kin50072964.pdbqt 298,17 95,5 -3,652 414,532 1,7351 8 1 0 8,6739 0,764150879540528
50043387 BDB-kin50073143.mol2, BDB-kin50073143.pdbqt 313,59 95,5 -4,151 448,978 2,4385 8 1 0 8,7016 0,675578584427537
These data are only available for scientific research purposes.