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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50442170 50442170.mol2, BDB-kin50442170.pdbqt 289,47 89,93 -5,339 384,442 2,4163 7 1 0 4,2037 0,366213001996685
50442171 50442171.mol2, BDB-kin50442171.pdbqt 289,47 89,93 -5,339 384,442 2,4163 7 1 0 4,2037 0,366213001996685
50442172 50442172.mol2, BDB-kin50442172.pdbqt 289,47 89,93 -5,363 384,442 2,4703 7 1 0 4,2037 0,364026442620884
50442258 50442258.mol2, BDB-kin50442258.pdbqt 355,51 123,31 -4,799 513,424 2,7336 8 3 1 4,2034 0,535166237301592
50442259 50442259.mol2, BDB-kin50442259.pdbqt 332,96 94,06 -6,058 466,411 4,7365 5 2 0 4,2774 0,390946585615667
50442260 50442260.mol2, BDB-kin50442260.pdbqt 332,96 94,06 -6,058 466,411 4,7365 5 2 0 4,2774 0,390946585615667
50442261 50442261.mol2, BDB-kin50442261.pdbqt 419,78 87,76 -8,33 591,552 7,2361 5 1 2 5,3141 0,176823122258691
50442268 50442268.mol2, BDB-kin50442268.pdbqt 400,23 130,28 -7,414 583,535 5,5402 7 1 2 3,3944 0,230931295374995
50442269 50442269.mol2, BDB-kin50442269.pdbqt 396,41 87,76 -7,39 547,524 6,6872 5 1 2 7,0252 0,213130821944205
50442270 50442270.mol2, BDB-kin50442270.pdbqt 332,07 84,52 -7,143 464,391 5,8432 4 1 1 2,771 0,279930994381156
50442271 50442271.mol2, BDB-kin50442271.pdbqt 359,09 93,75 -7,21 506,428 5,8122 5 1 2 2,9429 0,259256382806837
50442272 50442272.mol2, BDB-kin50442272.pdbqt 371,65 87,76 -6,712 519,471 5,9216 5 1 2 8,1438 0,266894413802744
50442273 50442273.mol2, BDB-kin50442273.pdbqt 382,85 102,98 -6,99 536,454 5,3871 6 1 2 3,1002 0,267923199897321
50442274 50442274.mol2, BDB-kin50442274.pdbqt 308,97 93,31 -7,891 448,348 5,2472 4 2 1 1,6367 0,286891384874003
50442275 50442275.mol2, BDB-kin50442275.pdbqt 340,1 89,57 -7,333 479,406 5,1574 5 1 1 1,4787 0,281520617678775
50442276 50442276.mol2, BDB-kin50442276.pdbqt 352,66 83,58 -6,835 492,449 5,2668 5 1 1 6,9458 0,310284469265574
50442277 50442277.mol2, BDB-kin50442277.pdbqt 277,02 89,99 -6,496 395,288 4,5747 4 1 0 -0,065216 0,313086482361956
50442278 50442278.mol2, BDB-kin50442278.pdbqt 369,66 122,57 -5,471 524,447 4,1194 7 2 1 7,1409 0,42139764230783
50442279 50442279.mol2, BDB-kin50442279.pdbqt 384,37 105,58 -5,795 537,489 5,0416 7 1 2 5,7228 0,33863433392925
50442280 50442280.mol2, BDB-kin50442280.pdbqt 372,64 127,79 -6,398 544,502 4,608 7 1 1 7,1765 0,327398896620795
These data are only available for scientific research purposes.