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Records 3801 to 3820 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50365506 BDB-kin50384247.mol2, BDB-kin50384247.pdbqt 357,3 120,34 -4,391 496,594 -0,0438 11 1 1 6,8734 0,371872222484062
50365507 BDB-kin50384248.mol2, BDB-kin50384248.pdbqt 375,93 120,34 -4,988 575,49 0,7788 11 1 2 3,5734 0,28431019418254
50365508 BDB-kin50384249.mol2, BDB-kin50384249.pdbqt 379,01 144,13 -5,188 521,604 -0,1542 12 1 2 2,4288 0,299372355747408
50365509 BDB-kin50384250.mol2, BDB-kin50384250.pdbqt 372,72 120,34 -4,89 531,039 0,6596 11 1 2 6,9425 0,320360029142254
50365511 BDB-kin50384251.mol2, BDB-kin50384251.pdbqt 282,03 100,44 -4,611 377,407 0,0751 9 2 0 5,5559 0,431700212259087
50365513 BDB-kin50384252.mol2, BDB-kin50384252.pdbqt 359,13 112,91 -4,101 476,539 -0,2561 11 2 1 6,3292 0,401457334122875
50365514 BDB-kin50384253.mol2, BDB-kin50384253.pdbqt 345,87 103,68 -4,304 448,529 0,2293 10 2 0 7,7339 0,410754522609261
50365517 BDB-kin50384254.mol2, BDB-kin50384254.pdbqt 333,31 109,67 -4,802 435,486 0,437 10 2 0 5,1343 0,388300097333617
50365868 BDB-kin50384255.mol2, BDB-kin50384255.pdbqt 286,58 48,38 -4,795 406,407 2,8444 6 0 0 -5,2147 0,324268942101097
50378662 BDB-kin50384256.mol2, BDB-kin50384256.pdbqt 445,56 128,29 -5,122 587,683 2,6178 13 2 2 7,5113 5,73862841674562E-02
50378663 BDB-kin50384257.mol2, BDB-kin50384257.pdbqt 456,06 128,29 -4,976 589,699 2,2392 13 2 2 3,8753 5,87739849894139E-02
50380313 BDB-kin50384258.mol2, BDB-kin50384258.pdbqt 322,01 123,69 -4,425 425,487 1,3305 9 2 0 2,0345 0,652227328511513
50380314 BDB-kin50384259.mol2, BDB-kin50384259.pdbqt 274,78 106,07 -6,48 371,851 3,0554 6 1 0 0,05192 0,383156426851478
50380320 BDB-kin50384260.mol2, BDB-kin50384260.pdbqt 290,2 106,07 -7,216 406,296 3,6614 6 1 0 0,05192 0,326643569332542
50380321 BDB-kin50384261.mol2, BDB-kin50384261.pdbqt 287,42 129,86 -6,831 380,406 2,3858 7 1 0 -1,3277 0,30044816257906
50380363 BDB-kin50384262.mol2, BDB-kin50384262.pdbqt 290,96 89,63 -3,976 410,399 1,427 8 1 0 -6,0877 0,3744136033005
50381158 BDB-kin50387582.mol2, BDB-kin50387582.pdbqt 295,84 60,74 -4,924 421,422 2,6789 7 0 0 -1,9804 0,279808228432198
50384245 BDB-kin50387583.mol2, BDB-kin50387583.pdbqt 299,28 135,32 -5,031 426,517 -0,1562 9 1 0 1,1738 0,560074213563226
50384246 BDB-kin50387584.mol2, BDB-kin50387584.pdbqt 283,04 85,7 -4,132 386,475 0,9673 7 0 0 0,05 0,573717329815977
50384247 BDB-kin50387585.mol2, BDB-kin50387585.pdbqt 271,15 96,56 -4,469 372,448 0,8345 7 1 0 -0,53048 0,50479007352113
These data are only available for scientific research purposes.