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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50440356 50440356.mol2, BDB-kin50440356.pdbqt 339,38 71,84 -6,723 425,534 4,9593 6 2 0 0,03499 0,280339237399512
50440357 50440357.mol2, BDB-kin50440357.pdbqt 347,9 97,86 -7,324 440,549 4,6334 7 3 0 0,02781 0,272682198331207
50440358 50440358.mol2, BDB-kin50440358.pdbqt 339,38 71,84 -6,723 425,534 4,9593 6 2 0 0,03499 0,280339237399512
50440359 50440359.mol2, BDB-kin50440359.pdbqt 339,6 89,66 -6,19 429,526 3,8467 8 2 0 2,0338 0,434497759077791
50440360 50440360.mol2, BDB-kin50440360.pdbqt 326,1 102,55 -5,731 416,488 3,1996 9 2 0 -1,6632 0,111200777586854
50440361 50440361.mol2, BDB-kin50440361.pdbqt 329,07 84,98 -6,659 415,496 4,6236 7 2 0 0,16107 0,308382525288088
50440362 50440362.mol2, BDB-kin50440362.pdbqt 338,36 102,55 -5,359 430,514 3,433 9 2 0 -1,0452 0,12409094715017
50440363 50440363.mol2, BDB-kin50440363.pdbqt 334,08 112,97 -6,847 432,551 4,982 7 2 0 -3,8588 0,184506539951438
50440364 50440364.mol2, BDB-kin50440364.pdbqt 340,84 76,77 -7,904 428,538 4,3215 7 2 0 1,0891 0,117157248924873
50440365 50440365.mol2, BDB-kin50440365.pdbqt 359,42 76,77 -8,534 483,402 5,3304 7 2 1 0,77007 8,56048380004853E-02
50440366 50440366.mol2, BDB-kin50440366.pdbqt 357,06 118,67 -6,31 461,592 4,2783 8 3 0 1,7132 0,136010338184499
50440367 50440367.mol2, BDB-kin50440367.pdbqt 327,34 89,66 -7,671 415,5 3,5333 8 2 0 0,75847 0,126554173165521
50440368 50440368.mol2, BDB-kin50440368.pdbqt 328,58 76,77 -7,536 414,511 3,9236 7 2 0 1,1981 0,129430584792838
50440369 50440369.mol2, BDB-kin50440369.pdbqt 340,84 76,77 -7,904 428,538 4,3215 7 2 0 0,93174 0,11509424152845
50440370 50440370.mol2, BDB-kin50440370.pdbqt 369,22 128,57 -9,374 481,562 3,7568 10 3 0 0,74597 0,105596831129386
50440371 50440371.mol2, BDB-kin50440371.pdbqt 142,84 68,49 -1,985 188,19 -1,5422 5 1 0 -4,8124 0,486197601404773
50440372 50440372.mol2, BDB-kin50440372.pdbqt 187,94 51,47 -3,104 231,25 2,2781 4 1 0 0,6574 0,736922817676142
50440373 50440373.mol2, BDB-kin50440373.pdbqt 136,94 100,43 -2,097 184,219 0,4246 4 2 0 3,053 0,936714296160904
50440374 50440374.mol2, BDB-kin50440374.pdbqt 144,72 70,16 -2,318 193,201 0,9251 4 2 0 -1,1416 0,588783435036277
50440375 50440375.mol2, BDB-kin50440375.pdbqt 167,22 38,25 -2,741 215,255 1,4337 4 0 0 1,1542 0,29298923416639
These data are only available for scientific research purposes.