• UNII FDA
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Records 53241 to 53260 of 55865
 
PUBCHEM ID
UNII
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Total Surface Area
Relative PSA
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
90479086 87J66D417Z mol2, pdbqt 210,16 0,30386 92,95 -1,863 287,314 2,0188 5 5 0 1,2519 0,818620562656335
90479088 8M01TBM86Z mol2, pdbqt 248,11 0,15163 45,59 -3,097 324,423 2,6104 4 1 0 0,87864 0,722965631598309
90479089 GL32ZJ6868 mol2, pdbqt 308,31 0,13898 63,93 -4,56 431,658 3,5872 4 3 0 4,1725 0,609850362005695
90479090 3B02PH5SO7 mol2, pdbqt 217,32 0,18291 52,93 -3,111 297,353 2,8582 4 2 0 4,6712 0,84552793958017
90479091 X4JGF58WF3 mol2, pdbqt 172,42 0,66442 158,43 -0,101 250,158 -2,5931 9 4 0 -1,2787 0,592073060455847
90479093 VBP33WID80 mol2, pdbqt 576,08 0,047702 19,72 -4,826 613,071 12,499 4 0 2 -15,066 0,11627705673416
90479095 5TTW07O3PA mol2, pdbqt 250,33 0,20884 74,6 -3,636 346,465 2,4151 4 2 0 0,83167 0,411000377335931
90479102 58WPD2QM9Y mol2, pdbqt 394,69 0,2787 148,71 -3,653 567,555 0,1121 9 6 2 -4,5825 0,295064939836406
90479106 B4RB3I4M1T mol2, pdbqt 230,69 0,24787 75,07 -4,736 315,392 3,6874 4 1 0 2,4191 0,382917365440239
90479113 SUY3JV35V4 mol2, pdbqt 544,37 0,0065213 3,24 -8,098 545,013 13,473 1 0 2 -20,938 5,35327432788648E-02
90479114 MD7WM2ZQ8N mol2, pdbqt 185,21 0,19788 41,93 -0,73 225,287 0,5025 4 1 0 3,2605 0,952090602086563
90479115 KS4PY675UF mol2, pdbqt 207,54 0 0 -7,038 469,796 6,2196 0 0 1 -3,9741 0,138578973462144
90479117 Q0SET9S9CB mol2, pdbqt 219,37 0,43155 98,25 -0,223 261,277 -1,0873 8 3 0 -16,06 0,232290092366703
90479118 Q4DFM5GUBY mol2, pdbqt 188,91 0 0 -6,204 390,9 5,4944 0 0 1 -3,9741 0,193076999819195
90479119 35LV42M46Q mol2, pdbqt 222,79 0,17106 44,73 -2,998 312,412 1,9925 4 2 0 1,1059 0,765888443224138
90479123 263KFW380H mol2, pdbqt 443,39 0,2885 144 -3,493 600,706 1,3795 11 2 2 6,2292 0,119097857493479
90479125 4Q0587B72Y mol2, pdbqt 124,54 0,34358 60,77 0,318 160,192 -2,2241 4 2 0 3,7716 0,977765024805154
90479133 FHT6N8Q27P mol2, pdbqt 138,33 0,24586 39,19 -2,116 175,186 1,1413 3 0 0 -4,1743 0,48417201260814
90479135 6V75CO58MC mol2, pdbqt 237,59 0,3879 105,2 -1,534 304,294 -0,5497 8 0 0 -3,4438 0,290758419564674
90479136 674R7808HC mol2, pdbqt 250,63 0,16016 42,01 -3,048 366,459 2,003 5 0 0 1,3672 0,753625129540253
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 of 2794
Records 53241 to 53260 of 55865
These data are only available for scientific research purposes.