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Records 4021 to 4040 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50396322 BDB-kin50396817.mol2, BDB-kin50396817.pdbqt 266,59 125,78 -3,6 349,357 0,2556 10 3 0 4,844 0,498439735877256
50396323 BDB-kin50396818.mol2, BDB-kin50396818.pdbqt 225,12 96,68 -2,733 292,305 0,2005 8 2 0 4,1623 0,905906540048655
50396324 BDB-kin50396819.mol2, BDB-kin50396819.pdbqt 248,84 108,71 -3,318 321,347 0,1989 9 3 0 4,5594 0,51910711448864
50396325 BDB-kin50396820.mol2, BDB-kin50396820.pdbqt 234,88 109,81 -4,793 306,332 0,9144 8 3 0 3,7808 0,726878638572552
50396326 BDB-kin50396821.mol2, BDB-kin50396821.pdbqt 233,64 122,7 -3,334 307,32 -0,1254 9 3 0 4,1105 0,869374101925831
50396327 BDB-kin50396822.mol2, BDB-kin50396822.pdbqt 302,81 137,62 -6,559 399,421 0,9663 11 2 1 3,8612 0,305704837317602
50396804 BDB-kin50398397.mol2, BDB-kin50398397.pdbqt 392,37 160,73 -5,075 571,559 1,8944 12 2 2 -1,7015 0,162828913591287
50396805 BDB-kin50398398.mol2, BDB-kin50398398.pdbqt 392,37 160,73 -5,075 571,559 1,8944 12 2 2 -1,7015 0,162828913591287
50396806 BDB-kin50398399.mol2, BDB-kin50398399.pdbqt 375,17 160,73 -4,642 517,588 1,4481 12 2 2 3,9536 0,336891447293533
50396807 BDB-kin50398400.mol2, BDB-kin50398400.pdbqt 375,17 160,73 -4,642 517,588 1,4481 12 2 2 3,9536 0,336891447293533
50396808 BDB-kin50400333.mol2, BDB-kin50400333.pdbqt 375,17 160,73 -4,335 517,588 1,4101 12 2 2 4,6243 0,353924395552424
50396809 BDB-kin50400334.mol2, BDB-kin50400334.pdbqt 375,17 160,73 -4,335 517,588 1,4101 12 2 2 4,6243 0,353924395552424
50396810 BDB-kin50400335.mol2, BDB-kin50400335.pdbqt 357,82 160,73 -3,425 485,571 0,6712 12 2 1 5,596 0,419722994330923
50396811 BDB-kin50400336.mol2, BDB-kin50400336.pdbqt 341,91 151,5 -3,721 473,536 0,842 11 2 1 4,3174 0,416056069901884
50396812 BDB-kin50400337.mol2, BDB-kin50400337.pdbqt 364,17 160,73 -4,264 503,561 1,1234 12 2 2 4,256 0,368050049451094
50396813 BDB-kin50400338.mol2, BDB-kin50400338.pdbqt 356,58 173,62 -3,487 486,559 0,4784 13 2 1 5,871 0,417521746054999
50396814 BDB-kin50400339.mol2, BDB-kin50400339.pdbqt 365,02 151,5 -4,209 523,543 1,6435 11 2 2 -1,5326 0,209584139251198
50396815 BDB-kin50400340.mol2, BDB-kin50400340.pdbqt 347,82 151,5 -3,775 469,572 1,1391 11 2 1 5,6574 0,417834557109231
50396816 BDB-kin50400341.mol2, BDB-kin50400341.pdbqt 350,98 151,5 -3,906 489,991 1,4446 11 2 1 5,677 0,39517353686804
50396817 BDB-kin50400342.mol2, BDB-kin50400342.pdbqt 343,96 167,71 -3,541 471,545 -0,6499 12 3 1 5,308 0,428718451738729
These data are only available for scientific research purposes.