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Records 3361 to 3380 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50316268 BDB-kin50316287.mol2, BDB-kin50316287.pdbqt 455,81 103,68 -5,194 583,739 2,7617 11 2 2 9,6437 0,437982343338555
50316269 BDB-kin50316288.mol2, BDB-kin50316288.pdbqt 283,22 82,09 -5,542 372,431 1,8511 7 1 0 3,682 0,60273497892562
50316270 BDB-kin50316289.mol2, BDB-kin50316289.pdbqt 416,83 91,65 -5,409 540,67 3,3284 10 1 1 6,4915 0,284352339634679
50316271 BDB-kin50316290.mol2, BDB-kin50316290.pdbqt 390,53 114,43 -5,855 512,616 2,7104 10 2 1 7,8061 0,271626033708095
50316272 BDB-kin50316291.mol2, BDB-kin50316291.pdbqt 428,29 103,68 -5,503 555,685 2,1176 11 2 2 8,1882 0,161487988952392
50316273 BDB-kin50316292.mol2, BDB-kin50316292.pdbqt 283,22 82,09 -5,542 372,431 1,8511 7 1 0 3,682 0,60273497892562
50316274 BDB-kin50317233.mol2, BDB-kin50317233.pdbqt 281,98 94,98 -4,964 373,419 1,2926 8 1 0 3,682 0,670185357121205
50316275 BDB-kin50319926.mol2, BDB-kin50319926.pdbqt 470,07 103,68 -5,958 609,776 3,563 11 2 2 10,384 0,349642654097049
50316276 BDB-kin50320094.mol2, BDB-kin50320094.pdbqt 316,17 85,17 -5,808 414,468 2,2321 8 1 0 4,4117 0,547799789193857
50316277 BDB-kin50320095.mol2, BDB-kin50320095.pdbqt 281,98 94,98 -4,439 373,419 0,9412 8 1 0 3,682 0,729459960178742
50316278 BDB-kin50320096.mol2, BDB-kin50320096.pdbqt 408,03 88,41 -5,22 525,655 3,0661 9 1 1 8,122 0,481808638597223
50316279 BDB-kin50320097.mol2, BDB-kin50320097.pdbqt 298,87 71,86 -5,991 396,453 2,5678 7 1 0 3,8806 0,321568069339025
50316280 BDB-kin50320098.mol2, BDB-kin50320098.pdbqt 427,34 100,44 -6,146 558,66 3,2426 10 2 1 6,4425 0,382315089363616
50316281 BDB-kin50320099.mol2, BDB-kin50320099.pdbqt 419,49 100,44 -6,071 540,67 3,4682 10 2 1 7,9373 0,394596683080064
50316282 BDB-kin50320100.mol2, BDB-kin50320100.pdbqt 430,49 100,44 -6,449 554,697 3,8275 10 2 1 8,4955 0,351947328697138
50316283 BDB-kin50320101.mol2, BDB-kin50320101.pdbqt 453,23 100,44 -7,278 588,714 4,7706 10 2 1 7,585 0,267215683571288
50316284 BDB-kin50320102.mol2, BDB-kin50320102.pdbqt 419,99 100,44 -6,535 552,681 3,5916 10 2 1 7,9225 0,28594845267685
50316285 BDB-kin50320103.mol2, BDB-kin50320103.pdbqt 281,98 94,98 -5,272 373,419 1,2016 8 1 0 3,682 0,6368290490726
50316286 BDB-kin50322823.mol2, BDB-kin50322823.pdbqt 404,27 97,64 -5,907 527,627 3,5361 10 1 1 3,1201 0,404799894277575
50316287 BDB-kin50326053.mol2, BDB-kin50326053.pdbqt 415,73 109,67 -6,058 542,642 2,7971 11 2 2 7,8288 0,410681892076852
These data are only available for scientific research purposes.