| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 17 | Yes |
Popular Name: (6R,7S)-6-amino-1-ethyl-7-(1-methylpyrazol-4-yl)azepan-2-one (6R,7S)-6-amino-1-ethyl-7-(1-met…
| 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) | -0.23 | 2.59 | -53.83 | 3 | 5 | 1 | 66 | 237.327 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 2.37 | -10.72 | 2 | 5 | 0 | 64 | 236.319 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
