| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 19 | No |
Popular Name: 1-(azepan-1-yl)-2-(4-bromo-3-nitro-pyrazol-1-yl)ethanone 1-(azepan-1-yl)-2-(4-bromo-3-nit…
| 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) | 1.97 | 8.04 | -21.05 | 0 | 7 | 0 | 84 | 331.17 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
