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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
125322 BDB-kin125484.mol2, BDB-kin125484.pdbqt 361,79 154,25 -6,607 495,538 2,6214 10 2 0 -0,53279 0,173756470860694
125323 BDB-kin125485.mol2, BDB-kin125485.pdbqt 375,17 160,73 -4,335 517,588 1,4101 12 2 2 4,6243 0,353924395552424
125324 BDB-kin125486.mol2, BDB-kin125486.pdbqt 368,82 160,73 -4,021 499,598 1,3093 12 2 1 5,9643 0,38364111098687
125325 BDB-kin125487.mol2, BDB-kin125487.pdbqt 368,82 160,73 -4,021 499,598 1,3093 12 2 1 5,9643 0,38364111098687
125326 BDB-kin125488.mol2, BDB-kin125488.pdbqt 366,44 154,25 -6,234 491,575 2,9918 10 2 0 1,3997 0,237688380627053
125327 BDB-kin125489.mol2, BDB-kin125489.pdbqt 372,79 154,25 -6,548 509,565 3,0926 10 2 1 0,059748 0,183790684328777
125328 BDB-kin125490.mol2, BDB-kin125490.pdbqt 320,67 141,27 -3,875 422,448 1,377 11 2 1 2,8787 0,434281903371555
125329 BDB-kin125491.mol2, BDB-kin125491.pdbqt 368,16 177,8 -4,393 517,545 1,2058 13 2 2 5,4617 0,35299164693564
125330 BDB-kin125492.mol2, BDB-kin125492.pdbqt 320,07 150,06 -4,091 410,437 1,049 11 3 1 0,046809 0,335764507611662
125331 BDB-kin125493.mol2, BDB-kin125493.pdbqt 320,67 141,27 -3,728 422,448 0,7284 11 2 1 2,1452 0,431744565114184
125332 BDB-kin125494.mol2, BDB-kin125494.pdbqt 368,82 160,73 -4,328 499,598 1,3473 12 2 1 5,2936 0,368588289528291
125333 BDB-kin125495.mol2, BDB-kin125495.pdbqt 375,9 138,52 -3,661 496,549 1,557 12 2 1 4,267 0,397002387864655
125334 BDB-kin125496.mol2, BDB-kin125496.pdbqt 348,26 171,73 -3,95 489,535 0,8477 12 3 1 4,2939 0,394093713788539
125335 BDB-kin125497.mol2, BDB-kin125497.pdbqt 373,02 146,74 -3,934 499,598 1,3469 12 2 1 6,1665 0,309850940212096
125336 BDB-kin125498.mol2, BDB-kin125498.pdbqt 255,26 98,84 -5,039 344,324 2,5916 7 2 0 -3,6284 0,205153406054092
125337 BDB-kin125499.mol2, BDB-kin125499.pdbqt 255,37 115,64 -4,89 333,354 2,6674 8 2 0 -1,0468 0,259441609116507
125338 BDB-kin125500.mol2, BDB-kin125500.pdbqt 248,67 98,84 -4,749 326,334 2,453 7 2 0 -2,2661 0,233404977768202
125339 BDB-kin125501.mol2, BDB-kin125501.pdbqt 248,67 98,84 -4,749 326,334 2,453 7 2 0 -2,2661 0,233404977768202
125340 BDB-kin125502.mol2, BDB-kin125502.pdbqt 249,67 108,07 -5,229 358,307 4,196 8 2 0 -4,9249 0,170078525831535
125341 BDB-kin125503.mol2, BDB-kin125503.pdbqt 321,86 133,85 -5,999 416,444 2,6424 10 2 0 -0,92606 0,202438095740676
These data are only available for scientific research purposes.