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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115838 BDB-kin116016.mol2, BDB-kin116016.pdbqt 319,23 94,23 -3,962 399,453 3,1086 7 1 0 -2,1675 0,237762869654797
115839 BDB-kin116017.mol2, BDB-kin116017.pdbqt 332,99 94,23 -4,232 413,48 3,4506 7 1 0 -4,1115 0,203461249696615
115840 BDB-kin116018.mol2, BDB-kin116018.pdbqt 324,32 114,46 -3,563 415,452 2,2565 8 2 0 -0,10934 0,335789289654442
115841 BDB-kin116019.mol2, BDB-kin116019.pdbqt 315,97 94,23 -3,546 387,442 2,7283 7 1 0 -2,2609 0,254189668483932
115842 BDB-kin116020.mol2, BDB-kin116020.pdbqt 311,82 94,23 -4,117 403,416 2,7938 7 1 0 -3,3286 0,221761329630538
115843 BDB-kin116021.mol2, BDB-kin116021.pdbqt 325,58 94,23 -4,387 417,443 3,1358 7 1 0 -5,2755 0,200479772376496
115844 BDB-kin116022.mol2, BDB-kin116022.pdbqt 316,91 114,46 -3,718 419,415 1,9417 8 2 0 -1,2789 0,274493729253861
115845 BDB-kin116023.mol2, BDB-kin116023.pdbqt 308,56 94,23 -3,701 391,405 2,4135 7 1 0 -3,3794 0,238469754330323
115846 BDB-kin116024.mol2, BDB-kin116024.pdbqt 320,89 94,23 -4,539 419,871 3,299 7 1 0 -1,9155 0,217134891991846
115847 BDB-kin116025.mol2, BDB-kin116025.pdbqt 334,65 94,23 -4,809 433,898 3,641 7 1 0 -3,8644 0,179572317230511
115848 BDB-kin116026.mol2, BDB-kin116026.pdbqt 325,98 114,46 -4,14 435,87 2,4469 8 2 0 0,1134 0,316683431185016
115849 BDB-kin116027.mol2, BDB-kin116027.pdbqt 317,63 94,23 -4,123 407,86 2,9187 7 1 0 -1,9792 0,237376761466374
115850 BDB-kin116028.mol2, BDB-kin116028.pdbqt 389,92 97,47 -3,7 500,576 3,4515 8 1 1 -1,8183 0,347752041020622
115851 BDB-kin116029.mol2, BDB-kin116029.pdbqt 379,92 88,24 -4,319 484,577 4,2735 7 1 0 -0,32552 0,382049978730849
115852 BDB-kin116030.mol2, BDB-kin116030.pdbqt 362,9 88,24 -3,633 458,539 3,4825 7 1 0 0,53173 0,540369153419592
115853 BDB-kin116031.mol2, BDB-kin116031.pdbqt 362,9 88,24 -3,633 458,539 3,4825 7 1 0 0,53173 0,540369153419592
115854 BDB-kin116032.mol2, BDB-kin116032.pdbqt 390,42 88,24 -4,233 486,593 4,2951 7 1 0 0,13262 0,414561917586506
115855 BDB-kin116033.mol2, BDB-kin116033.pdbqt 339,34 94,23 -3,783 431,47 3,2924 7 1 0 -2,552 0,371535588971324
115856 BDB-kin116034.mol2, BDB-kin116034.pdbqt 344,31 101,13 -2,2 427,511 2,3541 8 1 0 4,3871 0,79559014452932
115857 BDB-kin116035.mol2, BDB-kin116035.pdbqt 358,25 88,24 -3,599 462,503 3,5026 7 1 0 3,0471 0,644441337085205
These data are only available for scientific research purposes.