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Records 3461 to 3480 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50328612 BDB-kin50333028.mol2, BDB-kin50333028.pdbqt 449,73 89,95 -8,57 638,648 6,3687 9 0 2 -0,5716 0,073107816957272
50328613 BDB-kin50333029.mol2, BDB-kin50333029.pdbqt 434,64 81,67 -8,803 610,638 5,9454 8 1 2 0,66097 9,84338943123847E-02
50328614 BDB-kin50333030.mol2, BDB-kin50333030.pdbqt 445,74 72,88 -8,441 624,665 6,1983 8 0 2 -0,30238 8,02860720954891E-02
50328615 BDB-kin50333031.mol2, BDB-kin50333031.pdbqt 433,18 78,87 -8,939 611,622 6,0889 8 0 2 -5,1224 5,81137307198922E-02
50328616 BDB-kin50336404.mol2, BDB-kin50336404.pdbqt 422,16 69,64 -8,571 593,607 6,0965 7 0 2 -2,1482 6,62637719449943E-02
50331096 BDB-kin50336405.mol2, BDB-kin50336405.pdbqt 343,3 72,5 -6,557 450,512 4,5036 7 1 0 1,1846 0,345483073553122
50332294 BDB-kin50336406.mol2, BDB-kin50336406.pdbqt 402,07 116,86 -5,375 524,688 4,9144 9 3 1 -0,84176 0,119221233108807
50333016 BDB-kin50336407.mol2, BDB-kin50336407.pdbqt 183,27 54,46 -2,005 220,235 1,3892 4 1 0 -2,449 0,511210753894018
50333017 BDB-kin50336408.mol2, BDB-kin50336408.pdbqt 183,27 54,46 -2,005 220,235 1,3892 4 1 0 -2,449 0,511210753894018
50333018 BDB-kin50336409.mol2, BDB-kin50336409.pdbqt 207,46 52,47 -3,523 243,268 2,9437 3 1 0 -6,729 0,418918480675299
50333019 BDB-kin50336410.mol2, BDB-kin50336410.pdbqt 181,69 56,92 -2,65 224,287 2,8925 2 1 0 -1,9775 0,498367366509454
50333020 BDB-kin50336411.mol2, BDB-kin50336411.pdbqt 244,67 28,68 -4,306 354,253 4,8047 2 1 0 -9,639 0,298789051934503
50333021 BDB-kin50336412.mol2, BDB-kin50336412.pdbqt 194,27 54,7 -2,826 233,273 2,4308 3 2 0 -2,5485 0,481177711827982
50333022 BDB-kin50336413.mol2, BDB-kin50336413.pdbqt 152,51 28,68 -3,525 182,225 2,2635 2 1 0 -1,7443 0,499609279663678
50333023 BDB-kin50336414.mol2, BDB-kin50336414.pdbqt 180,03 28,68 -4,065 210,279 2,9475 2 1 0 -4,8908 0,401985702742223
50333024 BDB-kin50336415.mol2, BDB-kin50336415.pdbqt 194,27 54,7 -2,826 233,273 2,4308 3 2 0 -2,5485 0,481177711827982
50333025 BDB-kin50336417.mol2, BDB-kin50336417.pdbqt 184,51 41,57 -1,979 219,246 2,1612 3 1 0 -2,449 0,504113041764735
50333026 BDB-kin50336418.mol2, BDB-kin50336418.pdbqt 174,57 31,92 -2,132 199,256 1,2389 3 1 0 -0,13246 0,696337355515198
50333027 BDB-kin50336419.mol2, BDB-kin50336419.pdbqt 184,51 41,57 -1,955 219,246 2,1072 3 1 0 -2,449 0,505098483972343
50333028 BDB-kin50336420.mol2, BDB-kin50336420.pdbqt 184,51 41,57 -1,955 219,246 2,1072 3 1 0 -2,449 0,505098483972343
These data are only available for scientific research purposes.