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Records 561 to 580 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
116040 BDB-kin118949.mol2, BDB-kin118949.pdbqt 387,17 74,25 -4,039 489,021 4,312 7 1 0 2,1237 0,520595948028061
116041 BDB-kin118950.mol2, BDB-kin118950.pdbqt 389,93 74,25 -3,991 489,021 4,6376 7 1 0 4,7743 0,52558991817421
116042 BDB-kin118951.mol2, BDB-kin118951.pdbqt 387,17 74,25 -4,039 489,021 4,312 7 1 0 2,1237 0,520595948028061
116043 BDB-kin118952.mol2, BDB-kin118952.pdbqt 376,17 74,25 -3,691 474,994 4,2313 7 1 0 4,6033 0,589164943696661
116044 BDB-kin118953.mol2, BDB-kin118953.pdbqt 440,51 77,49 -3,878 558,128 4,7324 8 1 1 5,1278 0,456351314107712
116045 BDB-kin118954.mol2, BDB-kin118954.pdbqt 390,65 88,24 -5,207 521,45 5,0427 7 1 2 1,3799 0,34829652756899
116046 BDB-kin118955.mol2, BDB-kin118955.pdbqt 380,38 105,31 -4,425 509,396 3,9468 8 1 1 1,7012 0,484861433931353
116047 BDB-kin118956.mol2, BDB-kin118956.pdbqt 387,39 88,24 -4,791 509,439 4,5937 7 1 1 1,904 0,4272751836216
116048 BDB-kin118957.mol2, BDB-kin118957.pdbqt 376,39 88,24 -4,443 495,413 4,513 7 1 0 4,3867 0,498152940980847
116049 BDB-kin118958.mol2, BDB-kin118958.pdbqt 390,15 88,24 -4,743 509,439 4,9193 7 1 1 4,42 0,434752858503088
116050 BDB-kin118959.mol2, BDB-kin118959.pdbqt 419,17 108,47 -4,723 553,492 4,7325 8 2 1 2,5285 0,39785099733516
116051 BDB-kin118963.mol2, BDB-kin118963.pdbqt 397,44 105,23 -5,861 524,45 5,2695 7 2 2 -0,84833 0,215509334700269
116052 BDB-kin118970.mol2, BDB-kin118970.pdbqt 407,61 105,23 -5,97 538,477 5,6501 7 2 2 -0,91586 0,190780058259647
116053 BDB-kin119054.mol2, BDB-kin119054.pdbqt 403,09 88,24 -5,214 545,42 4,6871 7 1 1 0,61033 0,321358249788691
116054 BDB-kin119346.mol2, BDB-kin119346.pdbqt 382,85 105,23 -5,54 510,424 5,0135 7 2 2 1,5414 0,342797680312213
116055 BDB-kin119350.mol2, BDB-kin119350.pdbqt 383,67 105,31 -4,894 509,396 4,1989 8 1 1 1,9883 0,446096099138278
116056 BDB-kin119517.mol2, BDB-kin119517.pdbqt 386,44 105,23 -5,483 510,424 4,9102 7 2 1 -3,1349 0,201129390115977
116057 BDB-kin119518.mol2, BDB-kin119518.pdbqt 413,36 112,03 -5,161 534,449 4,6193 8 1 1 -2,1862 0,223876396783428
116058 BDB-kin119519.mol2, BDB-kin119519.pdbqt 387,71 74,25 -4,347 502,567 4,3566 7 1 1 0,39176 0,408694015489002
116059 BDB-kin119521.mol2, BDB-kin119521.pdbqt 377,44 91,32 -3,565 490,513 3,2607 8 1 0 0,54888 0,522129393083909
These data are only available for scientific research purposes.