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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50444254 50444254.mol2, BDB-kin50444254.pdbqt 350,7 102,41 -4,413 432,611 2,8355 8 4 0 5,3257 0,657409644976854
50444255 50444255.mol2, BDB-kin50444255.pdbqt 310,74 116,4 -3,819 390,53 1,7184 8 4 0 1,4055 0,698486016254064
50444256 50444256.mol2, BDB-kin50444256.pdbqt 314,84 111,2 -4,097 390,53 1,817 8 5 0 0,22857 0,583751493527468
50444257 50444257.mol2, BDB-kin50444257.pdbqt 313,98 90,38 -4,026 377,531 3,1504 7 3 0 3,243 0,715408999403195
50444258 50444258.mol2, BDB-kin50444258.pdbqt 302,88 99,17 -4,388 363,504 2,8839 7 4 0 -0,098246 0,528524000663698
50444259 50444259.mol2, BDB-kin50444259.pdbqt 315,45 99,17 -5,369 401,484 3,3783 7 4 0 -1,3958 0,341843931692981
50444260 50444260.mol2, BDB-kin50444260.pdbqt 315,45 99,17 -5,369 401,484 3,3783 7 4 0 -1,3958 0,341843931692981
50444265 50444265.mol2, BDB-kin50444265.pdbqt 425,85 154,16 -5,058 584,671 2,5241 11 4 2 3,8436 0,447118425199113
50444266 50444266.mol2, BDB-kin50444266.pdbqt 410,02 163,39 -4,106 560,674 1,3969 12 4 2 2,2269 0,531876526220487
50444267 50444267.mol2, BDB-kin50444267.pdbqt 413,78 154,16 -4,995 558,702 2,5609 11 4 2 -0,30831 0,341247270810743
50444268 50444268.mol2, BDB-kin50444268.pdbqt 383 154,16 -4,099 518,637 1,7708 11 4 2 4,8239 0,603683859782976
50444269 50444269.mol2, BDB-kin50444269.pdbqt 393,61 174,39 -3,484 534,636 0,9392 12 5 2 2,4778 0,606077121843275
50444270 50444270.mol2, BDB-kin50444270.pdbqt 416,72 154,16 -5,001 586,634 2,8046 11 4 2 -7,6019 0,224711092411412
50444271 50444271.mol2, BDB-kin50444271.pdbqt 400,02 154,16 -4,507 544,675 2,184 11 4 2 4,6977 0,536664268303645
50444272 50444272.mol2, BDB-kin50444272.pdbqt 413,28 154,16 -4,531 546,691 2,7747 11 4 2 0,18125 0,404619436472202
50444273 50444273.mol2, BDB-kin50444273.pdbqt 385,76 154,16 -3,991 518,637 1,8659 11 4 2 4,3612 0,608775695753469
50444274 50444274.mol2, BDB-kin50444274.pdbqt 372 154,16 -3,721 504,61 1,4115 11 4 2 4,2928 0,648884939788548
50444275 50444275.mol2, BDB-kin50444275.pdbqt 358,24 154,16 -3,421 490,583 1,0052 11 4 1 4,3553 0,688097533259213
50444276 50444276.mol2, BDB-kin50444276.pdbqt 343,04 168,15 -3,437 476,556 0,6809 11 4 1 4,0212 0,705971327202495
50444277 50444277.mol2, BDB-kin50444277.pdbqt 377,01 134,37 -3,129 504,61 1,6387 11 2 2 3,2865 0,669600813390146
These data are only available for scientific research purposes.