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Records 124561 to 124580 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50446107 50446107.mol2, BDB-kin50446107.pdbqt 321,02 128,14 -4,452 431,468 2,1239 9 2 0 6,3638 0,673120974144884
50446108 50446108.mol2, BDB-kin50446108.pdbqt 311,02 118,91 -4,778 415,469 2,5378 8 2 0 3,2835 0,635980076483497
50446109 50446109.mol2, BDB-kin50446109.pdbqt 301,02 109,68 -5,104 399,47 2,9517 7 2 0 1,2932 0,548687724029737
50446196 50446196.mol2, BDB-kin50446196.pdbqt 424,01 145 -7,949 620,527 3,5118 8 4 1 0,93859 0,243799646217754
50446197 50446197.mol2, BDB-kin50446197.pdbqt 429 135,44 -6,966 614,503 4,2026 9 4 1 -0,48746 0,19672248587374
50446198 50446198.mol2, BDB-kin50446198.pdbqt 426,18 150,79 -8,025 619,543 5,1774 8 4 2 1,3349 0,20337860522477
50446199 50446199.mol2, BDB-kin50446199.pdbqt 424,01 145 -7,949 620,527 3,5118 8 4 1 0,93859 0,243799646217754
50446200 50446200.mol2, BDB-kin50446200.pdbqt 427,76 148,33 -7,288 615,491 4,1364 10 4 1 -0,48746 0,192623493532347
50446201 50446201.mol2, BDB-kin50446201.pdbqt 425,59 142,54 -7,212 616,475 2,4708 10 4 1 -0,94063 0,202973070672521
50446202 50446202.mol2, BDB-kin50446202.pdbqt 429 135,44 -7,227 614,503 4,1592 9 4 1 -0,48746 0,193309282456505
50446203 50446203.mol2, BDB-kin50446203.pdbqt 426,83 129,65 -7,151 615,487 2,4936 9 4 1 -0,94063 0,204155092732888
50446592 50446592.mol2, BDB-kin50446592.pdbqt 500,48 129,06 -7,735 668,724 3,8876 12 2 2 9,7961 0,259523514000684
50446593 50446593.mol2, BDB-kin50446593.pdbqt 488,22 129,06 -7,391 654,697 3,5437 12 2 2 9,8295 0,2785012032637
50446594 50446594.mol2, BDB-kin50446594.pdbqt 535,6 153,51 -8,661 736,151 3,9003 14 2 2 4,3753 0,141143640039178
50446595 50446595.mol2, BDB-kin50446595.pdbqt 505,12 135,05 -8,667 709,651 4,2826 12 2 2 -1,5268 4,88362310234789E-02
50446110 50446110.mol2, BDB-kin50446110.pdbqt 295,11 109,68 -5,074 403,433 2,7086 7 2 0 1,7232 0,575196498006226
50446111 50446111.mol2, BDB-kin50446111.pdbqt 298,27 109,68 -5,466 423,851 2,9707 7 2 0 1,6222 0,513054272291877
50446112 50446112.mol2, BDB-kin50446112.pdbqt 298,27 109,68 -5,466 423,851 2,9707 7 2 0 2,818 0,543400431312907
50446113 50446113.mol2, BDB-kin50446113.pdbqt 321,38 109,68 -5,93 473,858 3,7182 7 2 0 -2,8875 0,237442036666088
50446114 50446114.mol2, BDB-kin50446114.pdbqt 307,34 109,68 -5,888 440,306 3,4759 7 2 0 4,7304 0,489368752092315
These data are only available for scientific research purposes.