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Records 123961 to 123980 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50443155 50443155.mol2, BDB-kin50443155.pdbqt 388,8 127,33 -4,103 509,673 2,8778 8 2 1 -4,8228 0,180028283400644
50443156 50443156.mol2, BDB-kin50443156.pdbqt 400,53 105,12 -3,758 502,661 3,7299 8 2 1 1,356 0,317630943855299
50443157 50443157.mol2, BDB-kin50443157.pdbqt 370,22 94,04 -3,974 461,608 3,5638 7 2 0 -3,0434 0,198513746321443
50443158 50443158.mol2, BDB-kin50443158.pdbqt 314,73 101,8 -4,277 392,501 3,3746 6 3 0 -8,4318 0,205534555975075
50443159 50443159.mol2, BDB-kin50443159.pdbqt 406,54 97,28 -3,113 504,677 3,2014 8 2 1 0,18017 0,298855981560748
50443161 50443161.mol2, BDB-kin50443161.pdbqt 386,77 105,12 -3,474 488,634 3,3506 8 2 0 0,4078 0,308381613365866
50443162 50443162.mol2, BDB-kin50443162.pdbqt 382,78 88,05 -3,492 474,651 3,7002 7 2 0 0,82815 0,325436647902251
50443163 50443163.mol2, BDB-kin50443163.pdbqt 369,02 88,05 -3,192 460,624 3,2939 7 2 0 1,3322 0,372587748975214
50443164 50443164.mol2, BDB-kin50443164.pdbqt 375,04 127,33 -3,819 495,646 2,4985 8 2 0 -4,724 0,194414980303723
50443165 50443165.mol2, BDB-kin50443165.pdbqt 356,46 94,04 -3,69 447,581 3,1845 7 2 0 -3,1645 0,2143542582366
50443166 50443166.mol2, BDB-kin50443166.pdbqt 364,6 106,49 -5,222 454,576 4,0082 7 3 0 -3,5651 0,157215974927696
50443167 50443167.mol2, BDB-kin50443167.pdbqt 375,07 122,7 -4,052 462,596 2,439 8 4 0 -2,9359 0,210473955104194
50443168 50443168.mol2, BDB-kin50443168.pdbqt 395,44 106,07 -3,475 490,65 2,6178 8 3 0 -2,4915 0,215181584675668
50443169 50443169.mol2, BDB-kin50443169.pdbqt 385,54 127,33 -3,741 497,662 2,2983 8 2 0 -2,9801 0,204148436380059
50443170 50443170.mol2, BDB-kin50443170.pdbqt 374,44 136,12 -4,103 483,635 2,0318 8 3 0 -4,0633 0,197109694977993
50443171 50443171.mol2, BDB-kin50443171.pdbqt 366,96 94,04 -3,544 449,597 3,123 7 2 0 -0,46513 0,289373420674455
50443173 50443173.mol2, BDB-kin50443173.pdbqt 284,13 136,03 -4,569 360,38 1,385 9 3 0 -8,0113 0,365141243620323
50443175 50443175.mol2, BDB-kin50443175.pdbqt 323,89 86,36 -5,479 428,559 4,5094 5 1 0 5,1593 0,475219531515645
50443176 50443176.mol2, BDB-kin50443176.pdbqt 275,31 83,12 -5,657 371,463 4,9775 4 1 0 3,3233 0,452431178468881
50443177 50443177.mol2, BDB-kin50443177.pdbqt 287,14 108,14 -5,351 390,466 3,711 6 2 0 5,3643 0,562211861349424
These data are only available for scientific research purposes.