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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
136448 BDB-kin151017.mol2, BDB-kin151017.pdbqt 333,32 101,3 -7,75 455,452 2,5357 9 1 0 -0,82878 0,216547882034742
136449 BDB-kin151019.mol2, BDB-kin151019.pdbqt 300,08 101,3 -7,401 419,419 1,8663 9 1 0 -0,40767 0,255940406398052
136450 BDB-kin151020.mol2, BDB-kin151020.pdbqt 286,32 101,3 -7,131 405,392 1,4119 9 1 0 -0,45367 0,266187830761837
136451 BDB-kin15138.mol2, BDB-kin15138.pdbqt 323,84 110,53 -7,052 449,445 1,2739 10 1 0 -4,3254 0,183680572594213
136452 BDB-kin15234.mol2, BDB-kin15234.pdbqt 325,3 113,33 -6,916 448,461 1,1304 10 2 0 -0,46355 0,255402121280686
136453 BDB-kin15244.mol2, BDB-kin15244.pdbqt 318,32 114,19 -6,536 442,413 1,2844 10 1 0 -1,2284 0,237689416490875
136454 BDB-kin16673.mol2, BDB-kin16673.pdbqt 326,52 142,43 -6,729 462,468 1,5133 10 1 0 0,095167 0,27823725157051
136455 BDB-kin17055.mol2, BDB-kin17055.pdbqt 326,52 142,43 -6,729 462,468 1,5133 10 1 0 0,095167 0,27823725157051
136456 BDB-kin172187.mol2, BDB-kin172187.pdbqt 330,58 114,19 -6,928 456,44 1,7363 10 1 0 -1,2599 0,219861173737398
136457 BDB-kin172188.mol2, BDB-kin172188.pdbqt 330,58 114,19 -6,904 456,44 1,6823 10 1 0 -1,2599 0,220594647207718
136458 BDB-kin172189.mol2, BDB-kin172189.pdbqt 330,58 114,19 -6,904 456,44 1,6823 10 1 0 -1,2599 0,220594647207718
136459 BDB-kin172190.mol2, BDB-kin172190.pdbqt 326,52 142,43 -6,729 462,468 1,5133 10 1 0 0,24325 0,284945991141346
136460 BDB-kin172191.mol2, BDB-kin172191.pdbqt 331,82 101,3 -6,959 455,452 2,5187 9 1 0 -1,4088 0,210731702268053
136461 BDB-kin172192.mol2, BDB-kin172192.pdbqt 293,73 101,3 -7,305 401,429 1,7085 9 1 0 -4,2504 0,191765964737049
136462 BDB-kin172193.mol2, BDB-kin172193.pdbqt 300,08 101,3 -7,619 419,419 1,8093 9 1 0 -5,5904 0,181198068482931
136463 BDB-kin172194.mol2, BDB-kin172194.pdbqt 303,17 101,3 -7,359 425,398 1,8673 9 1 0 -1,268 0,177458946229194
136464 BDB-kin172195.mol2, BDB-kin172195.pdbqt 334,98 101,3 -8,067 475,87 2,8913 9 1 0 -1,1751 0,191934866587017
136465 BDB-kin172196.mol2, BDB-kin172196.pdbqt 341,33 101,3 -8,381 493,86 2,9921 9 1 0 -1,1751 0,182365975400898
136466 BDB-kin172197.mol2, BDB-kin172197.pdbqt 313,84 101,3 -7,671 433,446 2,0959 9 1 0 -3,5072 0,180329371064963
136467 BDB-kin172198.mol2, BDB-kin172198.pdbqt 334,98 101,3 -8,067 475,87 2,8913 9 1 0 -1,1751 0,191934866587017
These data are only available for scientific research purposes.