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Records 4241 to 4258 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
5446 BDB-kin111620.mol2, BDB-kin111620.pdbqt 319,97 74,73 -3,527 393,442 3,0713 7 1 0 -5,9718 0,379340480582395
5447 BDB-kin111621.mol2, BDB-kin111621.pdbqt 333,75 68,74 -5,062 446,909 3,9851 7 1 0 0,47937 0,430463988038668
5655 BDB-kin111622.mol2, BDB-kin111622.pdbqt 281,79 90,23 -3,869 401,845 3,5175 6 3 0 6,5998 0,702500954226063
5931 BDB-kin111623.mol2, BDB-kin111623.pdbqt 289,32 133,59 -4,355 380,536 3,2891 6 2 0 0,54793 0,564408762304696
60568 BDB-kin115578.mol2, BDB-kin115578.pdbqt 317,83 93,04 -4,72 422,487 1,5613 9 0 0 1,3483 0,594921903726601
60569 BDB-kin115579.mol2, BDB-kin115579.pdbqt 354,6 132 -6,114 480,591 2,2533 9 1 0 2,5816 0,454539064693881
60570 BDB-kin115580.mol2, BDB-kin115580.pdbqt 359,67 109,94 -4,93 477,567 1,9558 10 1 0 6,4482 0,580464919316015
60571 BDB-kin115581.mol2, BDB-kin115581.pdbqt 347,11 115,93 -5,428 464,524 1,8464 10 1 0 2,795 0,532292786380814
60572 BDB-kin115582.mol2, BDB-kin115582.pdbqt 318,1 89,63 -5,775 420,515 2,4765 8 1 0 1,4099 0,491725104330547
60589 BDB-kin115583.mol2, BDB-kin115583.pdbqt 265,38 99,09 -4,379 359,416 1,3637 7 0 0 4,6398 0,448456241325667
60631 BDB-kin115584.mol2, BDB-kin115584.pdbqt 265,32 74,24 -3,764 354,409 1,0516 7 1 0 3,4361 0,801117424308464
60665 BDB-kin115585.mol2, BDB-kin115585.pdbqt 345,75 128,75 -5,88 470,46 2,9558 11 3 1 -1,1452 0,300332390987087
65549 BDB-kin115586.mol2, BDB-kin115586.pdbqt 275,03 82,96 -4,828 355,828 3,284 6 3 0 -1,7391 0,37874278646608
6568 BDB-kin111624.mol2, BDB-kin111624.pdbqt 313,87 83,42 -7,035 443,357 4,9379 5 1 0 3,93 0,348205867893443
7886 BDB-kin111625.mol2, BDB-kin111625.pdbqt 120,98 17,82 -3,72 144,177 1,2822 2 0 0 1,5972 0,800957829468965
92585 BDB-kin115587.mol2, BDB-kin115587.pdbqt 233,55 76,3 -4,202 311,344 1,0762 7 1 0 4,1146 0,790794419678107
92862 BDB-kin115588.mol2, BDB-kin115588.pdbqt 353,25 73,12 -9,336 469,547 6,2031 6 0 1 -6,8855 0,047638184734188
92863 BDB-kin115589.mol2, BDB-kin115589.pdbqt 716,91 195,43 -6,713 914,182 6,5106 14 3 3 2,3788 0,16406514556606
These data are only available for scientific research purposes.