In ZINC since | Heavy atoms | Benign functionality |
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September 28th, 2010 | 19 | No |
Popular Name: 1-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone 1-[(1S,4R)-5-azabicyclo[2.2.1]he…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.41 | 8.6 | -21.02 | 0 | 7 | 0 | 84 | 264.285 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.41 | 9.03 | -40.8 | 1 | 7 | 1 | 85 | 265.293 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.