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Records 3581 to 3600 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50343202 BDB-kin50343221.mol2, BDB-kin50343221.pdbqt 336,87 146,9 -5,935 468,557 3,451 8 2 0 3,3963 0,458308153835523
50343203 BDB-kin50343222.mol2, BDB-kin50343222.pdbqt 340,03 146,9 -6,066 488,975 3,7565 8 2 0 3,4686 0,421094356039173
50343204 BDB-kin50343223.mol2, BDB-kin50343223.pdbqt 317,77 137,67 -6,048 458,949 3,8265 7 2 0 -4,325 0,227983530196861
50343205 BDB-kin50343224.mol2, BDB-kin50343224.pdbqt 347,23 137,67 -6,826 526,946 4,6748 7 2 1 -6,5288 0,159953226816649
50343206 BDB-kin50343225.mol2, BDB-kin50343225.pdbqt 347,23 137,67 -6,826 526,946 4,6748 7 2 1 -7,6771 0,159794221299397
50343207 BDB-kin50343226.mol2, BDB-kin50343226.pdbqt 347,23 137,67 -6,826 526,946 4,6748 7 2 1 -3,5984 0,163974953807876
50343208 BDB-kin50343227.mol2, BDB-kin50343227.pdbqt 333,19 137,67 -6,784 493,394 4,4325 7 2 0 3,178 0,348852105537491
50343209 BDB-kin50343228.mol2, BDB-kin50343228.pdbqt 333,19 137,67 -6,784 493,394 4,4325 7 2 0 -0,71851 0,236315723725213
50343210 BDB-kin50343229.mol2, BDB-kin50343229.pdbqt 333,19 137,67 -6,784 493,394 4,4325 7 2 0 4,016 0,352820531877705
50343211 BDB-kin50343230.mol2, BDB-kin50343230.pdbqt 364,96 137,67 -7,208 515,057 5,4084 7 2 2 -3,8775 0,114145766293354
50343212 BDB-kin50343231.mol2, BDB-kin50343231.pdbqt 364,96 137,67 -7,208 515,057 5,4084 7 2 2 0,50692 0,227121301169171
50343213 BDB-kin50343232.mol2, BDB-kin50343232.pdbqt 324,12 137,67 -6,362 476,939 3,9273 7 2 0 1,6172 0,377874181791469
50343214 BDB-kin50343233.mol2, BDB-kin50343233.pdbqt 324,12 137,67 -6,362 476,939 3,9273 7 2 0 -3,2885 0,213401468122482
50343215 BDB-kin50343234.mol2, BDB-kin50343234.pdbqt 231,06 121,31 -4,316 316,408 3,072 5 1 0 1,2173 0,393668307668595
50343216 BDB-kin50343235.mol2, BDB-kin50343235.pdbqt 278,56 121,31 -5,254 378,479 4,4159 5 1 0 1,1113 0,46802841322806
50343217 BDB-kin50343236.mol2, BDB-kin50343236.pdbqt 292,32 121,31 -5,897 392,506 4,5562 5 1 0 1,226 0,410320636541816
50343218 BDB-kin50343237.mol2, BDB-kin50343237.pdbqt 271,07 105,24 -6,267 362,412 4,1178 6 1 0 1,1029 0,419072924244504
50343219 BDB-kin50343238.mol2, BDB-kin50343238.pdbqt 284,83 105,24 -5,311 376,439 4,0703 6 1 0 0,92489 0,47557515576962
50343220 BDB-kin50343239.mol2, BDB-kin50343239.pdbqt 272,53 108,04 -5,548 361,428 4,2526 6 2 0 1,1113 0,462355724661566
50343221 BDB-kin50343240.mol2, BDB-kin50343240.pdbqt 286,29 108,04 -5,353 375,455 3,7873 6 2 0 1,589 0,519925364139781
These data are only available for scientific research purposes.