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Records 2761 to 2780 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50043408 BDB-kin50073144.mol2, BDB-kin50073144.pdbqt 262,37 71,86 -3,209 348,409 1,5249 7 1 0 3,1016 0,832462575434821
50043409 BDB-kin50073145.mol2, BDB-kin50073145.pdbqt 315,71 114,38 -3,264 440,527 1,3617 9 1 0 2,814 0,741521584836993
50043411 BDB-kin50073146.mol2, BDB-kin50073146.pdbqt 261,13 84,75 -2,45 349,397 0,787 8 1 0 3,1016 0,870180840516637
50044977 BDB-kin50073147.mol2, BDB-kin50073147.pdbqt 354,45 79,11 -9,312 470,531 5,7786 6 0 1 -11,422 5,07501660992382E-02
50055864 BDB-kin50073148.mol2, BDB-kin50073148.pdbqt 392,01 110,42 -7,533 509,076 5,4135 7 3 2 6,1919 0,165624357015285
50058745 BDB-kin50078820.mol2, BDB-kin50078820.pdbqt 305,5 141,36 -6,045 422,468 2,0242 9 2 0 -6,5545 0,264303213519892
50058746 BDB-kin50078821.mol2, BDB-kin50078821.pdbqt 327,21 165,15 -6,818 447,478 1,8598 10 2 0 -5,0528 0,232002524106606
50058747 BDB-kin50078822.mol2, BDB-kin50078822.pdbqt 334,96 141,36 -6,823 490,465 2,8725 9 2 0 -5,6026 0,20681768063623
50058748 BDB-kin50078823.mol2, BDB-kin50078823.pdbqt 327,76 150,59 -6,063 452,494 1,9542 10 2 0 1,3235 0,450296507397409
50058749 BDB-kin50078824.mol2, BDB-kin50078824.pdbqt 301,44 169,6 -5,962 428,496 2,0133 9 2 0 1,2725 0,472167285087108
50058750 BDB-kin50078825.mol2, BDB-kin50078825.pdbqt 316,86 169,6 -6,715 462,941 2,824 9 2 0 1,1979 0,389061397208891
50058751 BDB-kin50078826.mol2, BDB-kin50078826.pdbqt 304,26 154,25 -5,25 423,456 1,0233 10 2 0 0,82665 0,517767865542958
50059642 BDB-kin50078827.mol2, BDB-kin50078827.pdbqt 344,55 126,83 -8,356 480,548 1,2774 10 2 0 4,8102 0,142664677044714
50059648 BDB-kin50078828.mol2, BDB-kin50078828.pdbqt 331,91 106,43 -4,325 437,502 1,6597 10 2 0 3,8078 0,678569156737439
50068561 BDB-kin50078829.mol2, BDB-kin50078829.pdbqt 737,91 204,66 -6,442 944,208 6,0864 15 3 3 2,383 0,179456697782734
50072961 BDB-kin50078830.mol2, BDB-kin50078830.pdbqt 372,41 157,15 -6,019 517,673 1,583 9 3 1 3,0879 0,440657212965266
50072963 BDB-kin50078831.mol2, BDB-kin50078831.pdbqt 332,52 142,13 -4,636 449,53 0,0321 10 3 0 0,88309 0,35646484830408
50072964 BDB-kin50078832.mol2, BDB-kin50078832.pdbqt 360,99 125,14 -4,266 476,6 0,2523 10 2 0 3,0027 0,639284071675992
50073143 BDB-kin50078833.mol2, BDB-kin50078833.pdbqt 322,2 154,48 -5,573 451,462 2,9647 10 2 0 4,1049 0,521851449319325
50073144 BDB-kin50078834.mol2, BDB-kin50078834.pdbqt 321,77 163 -5,188 452,45 2,4841 11 1 1 -0,85038 0,372352112243474
These data are only available for scientific research purposes.