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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50444368 50444368.mol2, BDB-kin50444368.pdbqt 383,4 148,33 -5,904 512,996 2,1455 10 4 1 0,026447 0,20689284767535
50444369 50444369.mol2, BDB-kin50444369.pdbqt 316,86 148,33 -4,2 430,851 0,4421 10 4 0 0,58167 0,35108793851397
50444370 50444370.mol2, BDB-kin50444370.pdbqt 402,88 148,33 -5,834 535,002 2,6494 10 4 1 0,50252 0,211834392688596
50444371 50444371.mol2, BDB-kin50444371.pdbqt 389,12 148,33 -5,564 520,976 2,195 10 4 1 2,5009 0,27459776199691
50444372 50444372.mol2, BDB-kin50444372.pdbqt 375,36 148,33 -5,294 506,949 1,7406 10 4 1 4,3572 0,30879888863149
50444373 50444373.mol2, BDB-kin50444373.pdbqt 361,6 148,33 -5,024 492,922 1,2862 10 4 0 3,2523 0,330575396909965
50444374 50444374.mol2, BDB-kin50444374.pdbqt 356,61 136,81 -5,447 488,894 2,6413 11 2 1 0,33013 0,241931880216216
50444375 50444375.mol2, BDB-kin50444375.pdbqt 336,52 150,55 -5,284 469,908 2,1084 9 3 0 4,0908 0,32909410739336
50444376 50444376.mol2, BDB-kin50444376.pdbqt 336,52 150,55 -5,394 469,908 2,1906 9 3 0 4,8341 0,323629038826036
50444377 50444377.mol2, BDB-kin50444377.pdbqt 367,1 113,52 -5,758 512,352 3,1965 9 2 1 6,0627 0,26869261293377
50444378 50444378.mol2, BDB-kin50444378.pdbqt 369,76 122,31 -6,232 512,352 3,3601 9 3 1 3,4584 0,243385103653371
50444379 50444379.mol2, BDB-kin50444379.pdbqt 356 122,31 -6,12 498,325 2,93 9 3 0 3,346 0,261015174105972
50444380 50444380.mol2, BDB-kin50444380.pdbqt 340,58 122,31 -5,384 463,88 2,324 9 3 0 3,346 0,322168825102309
50444381 50444381.mol2, BDB-kin50444381.pdbqt 326,82 122,31 -5,568 449,853 2,6146 9 3 0 2,9114 0,31373766572935
50444382 50444382.mol2, BDB-kin50444382.pdbqt 279,32 122,31 -4,061 387,782 0,9059 9 3 0 3,9564 0,454349437991398
50444383 50444383.mol2, BDB-kin50444383.pdbqt 264,12 136,3 -4,145 373,755 0,5544 9 3 0 3,3457 0,453936291161549
50444384 50444384.mol2, BDB-kin50444384.pdbqt 277,86 119,51 -4,474 388,766 1,5082 9 2 0 0,68654 0,598359651130504
50444385 50444385.mol2, BDB-kin50444385.pdbqt 277,86 119,51 -4,197 388,766 1,3801 9 2 0 0,53714 0,365718438328217
50444386 50444386.mol2, BDB-kin50444386.pdbqt 274,7 119,51 -3,805 368,348 1,118 9 2 0 0,44195 0,643625047689174
50444387 50444387.mol2, BDB-kin50444387.pdbqt 299,44 102,96 -4,031 396,398 1,8903 8 2 0 0,44195 0,602919452213332
These data are only available for scientific research purposes.