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Records 2281 to 2300 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
21041 BDB-kin111655.mol2, BDB-kin111655.pdbqt 386,78 122,68 -1,674 532,632 -0,1376 10 1 1 -0,28364 0,491401167705834
21042 BDB-kin111656.mol2, BDB-kin111656.pdbqt 400,54 122,68 -1,974 546,658 0,2687 10 1 1 3,3107 0,651431906692234
21043 BDB-kin111657.mol2, BDB-kin111657.pdbqt 414,3 122,68 -2,244 560,685 0,7231 10 1 1 3,6147 0,630217593369149
21044 BDB-kin111658.mol2, BDB-kin111658.pdbqt 414,3 122,68 -2,274 560,685 0,675 10 1 1 3,8822 0,379072948759547
21045 BDB-kin111659.mol2, BDB-kin111659.pdbqt 428,06 122,68 -2,574 574,712 1,0813 10 1 1 2,7563 0,356622500506014
21046 BDB-kin111661.mol2, BDB-kin111661.pdbqt 464,38 125,92 -1,637 617,781 0,471 11 1 2 2,6244 0,56494913594555
21047 BDB-kin111662.mol2, BDB-kin111662.pdbqt 440,12 125,92 -1,513 601,738 0,3952 11 1 2 6,3299 0,601251061867965
21048 BDB-kin111663.mol2, BDB-kin111663.pdbqt 427,56 131,91 -2,011 588,695 0,2858 11 1 2 1,7039 0,563469088137169
21049 BDB-kin111664.mol2, BDB-kin111664.pdbqt 509,88 135,15 -3,376 693,835 1,8204 12 1 2 5,7765 0,488933616205158
21050 BDB-kin111665.mol2, BDB-kin111665.pdbqt 387,28 122,68 -2,686 544,643 -0,1665 10 1 1 1,1721 0,574857550776251
21051 BDB-kin111666.mol2, BDB-kin111666.pdbqt 413,14 145,74 -2,941 575,653 0,8667 11 1 2 -25,081 0,301256701444786
21052 BDB-kin111667.mol2, BDB-kin111667.pdbqt 389,82 156,74 -2,566 547,599 0,2014 11 2 2 1,1792 0,459119649868621
21053 BDB-kin111668.mol2, BDB-kin111668.pdbqt 379,92 159,9 -1,837 535,588 -0,8782 11 3 2 0,23014 0,153007027362597
21054 BDB-kin111669.mol2, BDB-kin111669.pdbqt 377,16 159,9 -1,915 535,588 -0,9252 11 3 2 1,1287 0,358804213982695
21055 BDB-kin111670.mol2, BDB-kin111670.pdbqt 434,93 143,23 -4,292 590,671 1,687 10 1 1 -7,1129 0,256964225029393
21056 BDB-kin111671.mol2, BDB-kin111671.pdbqt 440,62 125,92 -2,007 613,749 0,7421 11 1 2 5,3259 0,581841805348134
21057 BDB-kin111672.mol2, BDB-kin111672.pdbqt 431,82 122,68 -3,394 598,734 1,7967 10 1 1 -2,4334 0,299604006985238
21058 BDB-kin111673.mol2, BDB-kin111673.pdbqt 437,54 122,68 -3,143 606,713 1,6591 10 1 1 2,2595 0,53154687378386
21059 BDB-kin111674.mol2, BDB-kin111674.pdbqt 423,78 122,68 -3,665 592,687 1,7362 10 1 1 1,5263 0,499503975440271
21060 BDB-kin111675.mol2, BDB-kin111675.pdbqt 376,28 122,68 -1,82 530,616 0,241 10 1 1 3,4813 0,677323206903279
These data are only available for scientific research purposes.