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Records 141 to 160 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
111754 BDB-kin115729.mol2, BDB-kin115729.pdbqt 350,84 106,18 -3,862 442,525 1,8436 9 1 0 -2,7086 0,380858496158146
111755 BDB-kin115730.mol2, BDB-kin115730.pdbqt 342,27 97,2 -2,903 417,515 2,5727 8 1 0 -3,9106 0,399746143904695
115575 BDB-kin115731.mol2, BDB-kin115731.pdbqt 310,04 88,48 -5,067 367,455 4,3448 5 1 0 -12,67 0,180104628879884
115576 BDB-kin115732.mol2, BDB-kin115732.pdbqt 296,28 88,48 -4,908 353,428 3,9292 5 1 0 -12,439 0,196961415191799
115577 BDB-kin115733.mol2, BDB-kin115733.pdbqt 278,18 77,58 -3,491 329,406 3,3299 5 1 0 -5,953 0,395795940441538
115578 BDB-kin115734.mol2, BDB-kin115734.pdbqt 276,68 77,58 -3,7 329,406 3,3122 5 1 0 -5,953 0,389093081506966
115579 BDB-kin115735.mol2, BDB-kin115735.pdbqt 296,53 93,79 -4,341 377,834 3,1465 6 2 0 -2,3323 0,381411628205142
115580 BDB-kin115736.mol2, BDB-kin115736.pdbqt 292,21 85 -3,243 357,416 2,807 6 1 0 -1,474 0,482002825574919
115581 BDB-kin115737.mol2, BDB-kin115737.pdbqt 239,64 64,69 -3,6 286,337 3,1017 4 1 0 -5,6089 0,407619293835843
115582 BDB-kin115738.mol2, BDB-kin115738.pdbqt 280,48 107,21 -4,017 364,428 2,1037 6 1 0 -4,9747 0,388726816535471
115583 BDB-kin115739.mol2, BDB-kin115739.pdbqt 298,56 85 -3,557 375,406 2,9078 6 1 0 -2,814 0,410214689218617
115584 BDB-kin115740.mol2, BDB-kin115740.pdbqt 292,21 85 -3,243 357,416 2,807 6 1 0 -1,474 0,482002825574919
115585 BDB-kin115741.mol2, BDB-kin115741.pdbqt 298,56 85 -3,557 375,406 2,9078 6 1 0 -2,814 0,410214689218617
115586 BDB-kin115742.mol2, BDB-kin115742.pdbqt 310,29 93,79 -4,5 391,861 3,5621 6 2 0 -2,5688 0,350662221000431
115587 BDB-kin115743.mol2, BDB-kin115743.pdbqt 253,4 64,69 -3,759 300,364 3,5173 4 1 0 -5,953 0,387045549118785
115588 BDB-kin115744.mol2, BDB-kin115744.pdbqt 294,24 107,21 -4,176 378,455 2,5193 6 1 0 -5,1488 0,371101774882552
115589 BDB-kin115745.mol2, BDB-kin115745.pdbqt 312,32 85 -3,716 389,433 3,3234 6 1 0 -3,029 0,384569655885592
115590 BDB-kin115746.mol2, BDB-kin115746.pdbqt 312,32 85 -3,716 389,433 3,3234 6 1 0 -3,029 0,384569655885592
115591 BDB-kin115747.mol2, BDB-kin115747.pdbqt 314,03 67,77 -4,267 390,873 4,2859 5 1 0 -2,5457 0,335571922229401
115592 BDB-kin115748.mol2, BDB-kin115748.pdbqt 297,98 81,19 -3,943 377,467 3,2431 5 0 0 -5,1715 0,367841719496227
These data are only available for scientific research purposes.