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Records 1381 to 1400 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
136784 BDB-kin172259.mol2, BDB-kin172259.pdbqt 307,83 96,34 -5,217 415,5 2,4791 8 2 0 5,9686 0,289279746789603
136791 BDB-kin172260.mol2, BDB-kin172260.pdbqt 307,63 93,54 -5,319 416,484 2,6418 8 1 0 2,0139 0,553852129981672
136792 BDB-kin172261.mol2, BDB-kin172261.pdbqt 293,51 98,89 -4,065 397,441 2,9386 8 1 0 2,8909 0,336011360955204
136881 BDB-kin172262.mol2, BDB-kin172262.pdbqt 301,72 93,54 -5,289 420,447 2,3987 8 1 0 0,7405 0,49780470298819
136885 BDB-kin172263.mol2, BDB-kin172263.pdbqt 364,03 130,07 -5,719 507,617 2,7099 10 1 1 9,1763 0,224501867799274
136886 BDB-kin172264.mol2, BDB-kin172264.pdbqt 282,11 84,31 -5,178 374,447 2,6709 7 1 0 5,0003 0,302545476901681
136892 BDB-kin172265.mol2, BDB-kin172265.pdbqt 321,69 87,55 -4,747 429,526 2,7493 8 1 0 7,9204 0,303528346330162
136900 BDB-kin172266.mol2, BDB-kin172266.pdbqt 288,21 93,1 -6,31 414,39 3,1463 7 2 0 -3,5484 0,12106048399074
136906 BDB-kin172267.mol2, BDB-kin172267.pdbqt 318 96,34 -5,326 429,526 2,7771 8 2 0 4,1963 0,273278791035311
138176 BDB-kin172268.mol2, BDB-kin172268.pdbqt 370,14 123,51 -6,426 529,523 1,7708 10 1 1 4,2558 0,410571067793206
138177 BDB-kin172269.mol2, BDB-kin172269.pdbqt 303,1 114,28 -5,508 435,891 0,7408 9 1 0 6,3127 0,574383200728626
138178 BDB-kin172270.mol2, BDB-kin172270.pdbqt 363,3 114,28 -6,382 533,942 2,1928 9 1 1 4,2481 0,405273207176278
141190 BDB-kin172271.mol2, BDB-kin172271.pdbqt 294,13 106,43 -4,717 403,445 1,6709 9 1 0 2,0805 0,641687093450967
141195 BDB-kin172272.mol2, BDB-kin172272.pdbqt 306,59 109,23 -4,959 416,488 1,8521 9 2 0 5,9686 0,639465862720995
141226 BDB-kin172273.mol2, BDB-kin172273.pdbqt 306,59 109,23 -4,959 416,488 1,8521 9 2 0 5,9686 0,639465862720995
141977 BDB-kin172274.mol2, BDB-kin172274.pdbqt 268,81 103,19 -5,912 374,403 2,21 8 1 0 -1,733 0,326679010818426
142044 BDB-kin172275.mol2, BDB-kin172275.pdbqt 297,64 140,29 -4,423 404,433 0,6954 10 2 0 6,5378 0,716001441653126
142047 BDB-kin172276.mol2, BDB-kin172276.pdbqt 334,71 100,44 -5,035 456,552 2,5047 9 1 0 7,0048 0,583363449138845
142736 BDB-kin172277.mol2, BDB-kin172277.pdbqt 318,81 140,29 -4,91 432,487 1,4353 10 2 0 6,1325 0,634512987693952
142747 BDB-kin172278.mol2, BDB-kin172278.pdbqt 308,31 140,29 -4,996 430,471 1,1168 10 2 0 6,5209 0,630015389395296
These data are only available for scientific research purposes.