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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
122456 BDB-kin125382.mol2, BDB-kin125382.pdbqt 324,64 78,19 -6,733 430,463 3,0119 8 0 0 -1,6209 0,267189922314568
122457 BDB-kin125385.mol2, BDB-kin125385.pdbqt 324,64 78,19 -6,733 430,463 3,0119 8 0 0 -1,6209 0,267189922314568
122458 BDB-kin125386.mol2, BDB-kin125386.pdbqt 262,15 61,12 -4,544 340,382 1,2318 7 0 0 2,7231 0,722803617345362
122459 BDB-kin125387.mol2, BDB-kin125387.pdbqt 334,05 100,87 -6,592 496,9 2,5218 8 1 0 -3,5155 0,218151953315955
122460 BDB-kin125388.mol2, BDB-kin125388.pdbqt 282,03 97,63 -6,757 399,861 1,7618 7 1 0 5,1197 0,496228599097379
122461 BDB-kin125389.mol2, BDB-kin125389.pdbqt 304,59 100,87 -5,79 428,903 1,6195 8 1 0 3,6816 0,542150540993956
122462 BDB-kin125390.mol2, BDB-kin125390.pdbqt 304,59 100,87 -5,79 428,903 1,6195 8 1 0 4,4682 0,54578040396664
122463 BDB-kin125391.mol2, BDB-kin125391.pdbqt 291,54 97,63 -5,066 438,269 2,1183 7 1 0 2,0202 0,570064460545756
122464 BDB-kin125392.mol2, BDB-kin125392.pdbqt 277,36 84,74 -6,026 402,836 2,4547 6 1 0 1,3933 0,483247200329377
122466 BDB-kin125393.mol2, BDB-kin125393.pdbqt 200,31 48,65 -4,441 255,276 1,5628 5 0 0 2,2591 0,747962659935075
122467 BDB-kin125394.mol2, BDB-kin125394.pdbqt 355,88 105,57 -5,039 509,948 3,5836 8 1 1 3,3054 0,310737157237204
122468 BDB-kin125395.mol2, BDB-kin125395.pdbqt 304,59 100,87 -5,79 428,903 1,6195 8 1 0 3,5487 0,541219120927904
122469 BDB-kin125396.mol2, BDB-kin125396.pdbqt 316,85 100,87 -6,134 442,93 1,9634 8 1 0 3,5655 0,498713344657227
122470 BDB-kin125397.mol2, BDB-kin125397.pdbqt 276,12 97,63 -3,334 403,824 1,7131 7 1 0 2,085 0,751604614875352
123347 BDB-kin125398.mol2, BDB-kin125398.pdbqt 219,66 88,73 -6,373 286,293 3,1744 5 1 0 -5,3486 0,130063504506118
124917 BDB-kin125399.mol2, BDB-kin125399.pdbqt 312,62 110,61 -5,727 418,456 3,2564 9 1 0 -0,57533 0,172919664995815
125227 BDB-kin125400.mol2, BDB-kin125400.pdbqt 263,68 121,37 -4,826 346,353 1,6642 9 3 0 1,1067 0,618838163803452
125228 BDB-kin125401.mol2, BDB-kin125401.pdbqt 230,73 118,29 -4,56 304,316 1,2832 8 3 0 -0,023637 0,567709306691054
125229 BDB-kin125402.mol2, BDB-kin125402.pdbqt 247,62 95,17 -5,279 327,35 2,6494 7 3 0 0,13917 0,495684452252469
125231 BDB-kin125403.mol2, BDB-kin125403.pdbqt 343,15 158,84 -3,906 470,556 1,3964 11 3 1 5,7869 0,410344995371314
These data are only available for scientific research purposes.