Page 
 of 213
Records 61 to 80 of 4258
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
111674 BDB-kin115649.mol2, BDB-kin115649.pdbqt 303,67 86,39 -3,454 379,463 2,4469 7 1 0 -0,78993 0,521895838004847
111675 BDB-kin115650.mol2, BDB-kin115650.pdbqt 263,23 85 -3,15 321,383 2,2431 6 1 0 -3,7556 0,262911592761617
111676 BDB-kin115651.mol2, BDB-kin115651.pdbqt 299,26 88,16 -3,638 365,479 3,0701 6 2 0 -0,63791 0,518983800878344
111677 BDB-kin115652.mol2, BDB-kin115652.pdbqt 275,33 88,16 -3,259 337,426 2,3687 6 2 0 0,59921 0,690016214185092
111678 BDB-kin115653.mol2, BDB-kin115653.pdbqt 249,47 85 -2,991 307,356 1,8275 6 1 0 -3,5495 0,271495894457878
111679 BDB-kin115654.mol2, BDB-kin115654.pdbqt 285,5 88,16 -3,479 351,453 2,6545 6 2 0 -0,44566 0,561632635743084
111680 BDB-kin115655.mol2, BDB-kin115655.pdbqt 261,57 88,16 -3,1 323,399 1,9531 6 2 0 0,76934 0,727849401396601
111681 BDB-kin115656.mol2, BDB-kin115656.pdbqt 283,98 51,14 -2,994 336,438 3,2511 5 0 0 -0,40176 0,572523314028974
111682 BDB-kin115657.mol2, BDB-kin115657.pdbqt 297,74 51,14 -3,294 350,464 3,6574 5 0 0 -5,4991 0,385863639054251
111683 BDB-kin115658.mol2, BDB-kin115658.pdbqt 268,07 62,14 -2,866 322,411 2,8232 5 1 0 -0,0175 0,636508294827708
111684 BDB-kin115659.mol2, BDB-kin115659.pdbqt 281,83 62,14 -2,918 336,438 3,0179 5 1 0 -5,1456 0,418776163260276
111685 BDB-kin115660.mol2, BDB-kin115660.pdbqt 281,83 62,14 -2,918 336,438 3,0179 5 1 0 -3,2717 0,43158507429325
111686 BDB-kin115661.mol2, BDB-kin115661.pdbqt 278,24 62,14 -2,975 336,438 3,1212 5 1 0 1,586 0,755030859056178
111687 BDB-kin115662.mol2, BDB-kin115662.pdbqt 316,28 88,16 -4,375 391,517 3,3259 6 2 0 -0,46895 0,470284761510064
111688 BDB-kin115663.mol2, BDB-kin115663.pdbqt 296,46 88,24 -2,897 376,463 1,9067 7 1 0 6,0885 0,838537462511784
111689 BDB-kin115664.mol2, BDB-kin115664.pdbqt 277,94 85,75 -1,687 345,409 1,8956 7 1 0 0,6265 0,740228868546177
111690 BDB-kin115665.mol2, BDB-kin115665.pdbqt 310,22 88,24 -3,056 390,489 2,3223 7 1 0 5,9054 0,810078259280791
111691 BDB-kin115666.mol2, BDB-kin115666.pdbqt 291,7 85,75 -1,846 359,436 2,3112 7 1 0 0,40381 0,699264343383824
111692 BDB-kin115667.mol2, BDB-kin115667.pdbqt 297,06 91,4 -2,232 366,467 1,7008 7 2 0 0,45105 0,703384863743718
111693 BDB-kin115668.mol2, BDB-kin115668.pdbqt 306,23 71,17 -3,185 376,506 2,8149 6 1 0 4,7299 0,797732813523107
These data are only available for scientific research purposes.