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Records 125281 to 125298 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50453599 50453599.mol2, BDB-kin50453599.pdbqt 304,05 99,35 -4,018 385,458 4,6812 6 3 0 -7,4883 0,306724510676635
50453602 50453602.mol2, BDB-kin50453602.pdbqt 252,23 99,02 -3,039 331,367 2,7468 6 4 0 -24,416 0,420773051360101
50453603 50453603.mol2, BDB-kin50453603.pdbqt 231,06 99,02 -2,552 303,313 2,0069 6 4 0 -3,9426 0,456965645386032
50453604 50453604.mol2, BDB-kin50453604.pdbqt 279,75 99,02 -3,429 359,421 3,6998 6 4 0 -3,1852 0,391134713634841
50453605 50453605.mol2, BDB-kin50453605.pdbqt 212,85 122,05 -2,399 290,274 0,6583 7 6 1 0,64768 0,458897684478195
50453606 50453606.mol2, BDB-kin50453606.pdbqt 306,08 99,02 -3,957 393,438 3,9032 6 4 0 -4,9767 0,34132652082097
50453607 50453607.mol2, BDB-kin50453607.pdbqt 292,32 99,02 -3,687 379,411 3,4488 6 4 0 -0,28665 0,421864779170823
50453608 50453608.mol2, BDB-kin50453608.pdbqt 227,52 140,06 -1,673 325,256 -1,8632 7 6 1 -12,806 0,464219566829075
50453609 50453609.mol2, BDB-kin50453609.pdbqt 230,6 99,35 -2,711 301,297 2,3156 6 3 0 -4,1141 0,449383096000437
50454010 50454010.mol2, BDB-kin50454010.pdbqt 301,86 49,33 -6,82 379,458 5,4892 3 2 1 1,2959 0,190479179900835
50454011 50454011.mol2, BDB-kin50454011.pdbqt 313,78 46,53 -6,314 382,542 7,2399 3 1 1 -8,44 0,14978617954698
50454012 50454012.mol2, BDB-kin50454012.pdbqt 226,57 46,53 -4,707 284,354 4,468 3 1 0 -6,8197 0,309567119063198
50454013 50454013.mol2, BDB-kin50454013.pdbqt 223,23 57,53 -5,505 290,317 4,1174 3 2 0 -1,8442 0,192829151103178
50454014 50454014.mol2, BDB-kin50454014.pdbqt 326,35 46,53 -7,24 402,532 7,3172 3 1 1 -8,44 7,89954848582779E-02
50454015 50454015.mol2, BDB-kin50454015.pdbqt 366,02 44,76 -8,004 446,585 7,5198 4 0 1 -8,2932 0,116420004344759
50454016 50454016.mol2, BDB-kin50454016.pdbqt 262,9 55,76 -6,269 334,37 4,32 4 1 0 -1,5288 0,280781169478721
50454017 50454017.mol2, BDB-kin50454017.pdbqt 278,81 44,76 -6,397 348,397 4,7479 4 0 0 -3,8536 0,222262036952837
50454018 50454018.mol2, BDB-kin50454018.pdbqt 326,35 46,53 -7,24 402,532 7,3172 3 1 1 -8,44 0,131659141430463
These data are only available for scientific research purposes.