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Records 4101 to 4120 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50427322 BDB-kin50428125.mol2, BDB-kin50428125.pdbqt 292,32 96,56 -5,168 400,502 1,6804 7 1 0 2,3419 0,60527296436848
50427326 BDB-kin50428126.mol2, BDB-kin50428126.pdbqt 292,82 96,56 -5,632 412,513 1,7119 7 1 0 3,1898 0,564289787274978
50427453 BDB-kin50428127.mol2, BDB-kin50428127.pdbqt 263,78 85,47 -5,624 371,412 3,293 6 0 0 -3,4188 0,292920397205424
50427454 BDB-kin50428128.mol2, BDB-kin50428128.pdbqt 229,76 67,01 -5,442 313,376 3,3142 4 0 0 3,4612 0,601105559535539
50428107 BDB-kin50428129.mol2, BDB-kin50428129.pdbqt 326,47 102,76 -4,007 446,509 1,8431 9 1 0 3,6196 0,691977533234538
50428108 BDB-kin50428130.mol2, BDB-kin50428130.pdbqt 338,38 118,55 -4,508 471,52 1,6566 10 2 0 5,1506 0,377538559149379
50428109 BDB-kin50428131.mol2, BDB-kin50428131.pdbqt 318,29 111,21 -4,687 442,482 1,506 10 1 0 6,1369 0,646698820283911
50428110 BDB-kin50428132.mol2, BDB-kin50428132.pdbqt 319,53 98,32 -4,637 441,494 2,224 9 1 0 6,1369 0,385831467388133
50428111 BDB-kin50428133.mol2, BDB-kin50428133.pdbqt 331,38 91,76 -3,757 446,509 1,9117 9 0 0 4,2372 0,713797549631279
50428112 BDB-kin50428134.mol2, BDB-kin50428134.pdbqt 336,64 102,76 -4,116 460,536 2,2237 9 1 0 3,6897 0,661603714548625
50428113 BDB-kin50428135.mol2, BDB-kin50428135.pdbqt 315,47 102,76 -3,629 432,483 1,4838 9 1 0 4,5878 0,745683322016442
50428114 BDB-kin50428136.mol2, BDB-kin50428136.pdbqt 307,62 82,53 -4,136 416,484 2,4105 8 0 0 4,5692 0,708003896476549
50428115 BDB-kin50429701.mol2, BDB-kin50429701.pdbqt 317,62 91,76 -4,311 432,483 2,294 9 0 0 4,5518 0,6790476211763
50428116 BDB-kin50429702.mol2, BDB-kin50429702.pdbqt 299,87 74,69 -4,029 404,473 2,2373 8 0 0 6,001 0,735208780301514
50428117 BDB-kin50429703.mol2, BDB-kin50429703.pdbqt 339,67 95,24 -7,17 450,501 4,3802 8 0 0 -6,8051 0,119788510016977
50428118 BDB-kin50429704.mol2, BDB-kin50429704.pdbqt 296,16 91,68 -5,017 405,457 2,4398 8 1 0 0,66538 0,315482980846356
50428119 BDB-kin50429705.mol2, BDB-kin50429705.pdbqt 333,68 100,91 -4,938 449,509 2,3473 9 1 0 -0,021814 0,27057393216003
50428123 BDB-kin50429706.mol2, BDB-kin50429706.pdbqt 344,67 91,85 -4,616 452,557 1,4039 9 2 0 3,361 0,633796954994957
50428124 BDB-kin50429708.mol2, BDB-kin50429708.pdbqt 345,17 82,62 -5,149 438,574 2,4618 8 2 0 3,8984 0,58474112447549
50428125 BDB-kin50429709.mol2, BDB-kin50429709.pdbqt 368,13 100,44 -5,065 476,583 1,8539 10 2 0 4,4961 0,567143622788198
These data are only available for scientific research purposes.