Page 
 of 213
Records 2661 to 2680 of 4258
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
251656 BDB-kin50039847.mol2, BDB-kin50039847.pdbqt 303,08 105,79 -5,864 440,523 1,6106 8 1 0 2,7375 0,51665222928831
251657 BDB-kin50039850.mol2, BDB-kin50039850.pdbqt 297,17 105,79 -5,81 444,486 1,3135 8 1 0 0,89142 0,458358616878655
251658 BDB-kin50039948.mol2, BDB-kin50039948.pdbqt 334,04 105,79 -6,544 508,52 2,403 8 1 1 -6,1644 0,20966324554508
251659 BDB-kin50039950.mol2, BDB-kin50039950.pdbqt 345,14 143,64 -4,988 483,551 1,3749 11 1 1 -0,57769 0,234325254226459
251660 BDB-kin50039952.mol2, BDB-kin50039952.pdbqt 338,85 119,85 -4,951 492,986 2,1453 10 1 0 3,9721 0,332532352890868
251661 BDB-kin50039953.mol2, BDB-kin50039953.pdbqt 329,78 119,85 -4,529 476,531 1,6401 10 1 0 2,2464 0,35618650944052
251662 BDB-kin50039955.mol2, BDB-kin50039955.pdbqt 328,35 119,85 -5,037 490,971 1,8521 10 1 0 4,241 0,332067507506307
251663 BDB-kin50040342.mol2, BDB-kin50040342.pdbqt 342,11 119,85 -5,307 504,997 2,1941 10 1 1 3,0146 0,300919054836935
251664 BDB-kin50040361.mol2, BDB-kin50040361.pdbqt 333,04 119,85 -4,885 488,542 1,6889 10 1 0 1,2901 0,308339745589938
25617 BDB-kin111700.mol2, BDB-kin111700.pdbqt 281,64 100,3 -7,244 413,831 2,9187 6 2 0 -2,0953 0,149678925215508
25628 BDB-kin111701.mol2, BDB-kin111701.pdbqt 257,69 80,37 -3,363 334,378 1,2785 6 1 0 1,6545 0,282440215682445
2579 BDB-kin111614.mol2, BDB-kin111614.pdbqt 322,44 69,45 -6,769 466,539 4,4396 7 2 0 4,7259 0,373119598622656
25919 BDB-kin111702.mol2, BDB-kin111702.pdbqt 202,65 68,24 -4,664 255,324 0,8626 5 2 0 0,12284 0,585940385522199
26300 BDB-kin111703.mol2, BDB-kin111703.pdbqt 395,48 128,29 -4,933 507,568 2,8106 10 4 1 5,2966 0,530643556602441
26474 BDB-kin111704.mol2, BDB-kin111704.pdbqt 320,76 127,41 -5,921 437,527 1,7881 9 2 0 3,5212 0,187659322787565
27817 BDB-kin111705.mol2, BDB-kin111705.pdbqt 398,12 127,51 -6,061 532,578 3,054 11 4 2 4,3859 0,328784126462108
31085 BDB-kin111706.mol2, BDB-kin111706.pdbqt 396,07 94,65 -6,208 529,565 3,9391 9 3 1 0,54844 0,309145610613926
31088 BDB-kin111707.mol2, BDB-kin111707.pdbqt 354,83 80,65 -7,073 518,42 5,3314 7 2 2 -4,718 9,19173773761262E-02
31093 BDB-kin111708.mol2, BDB-kin111708.pdbqt 336,97 87,47 -8,009 476,869 5,0379 6 2 1 -0,73746 0,202547977250846
31095 BDB-kin111709.mol2, BDB-kin111709.pdbqt 331,3 106,69 -2,809 442,489 0,425 8 4 0 4,7422 0,783677383104847
These data are only available for scientific research purposes.