| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 15 | No |
Popular Name: (1R,5S)-3-[(3R)-azepan-3-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[(3R)-azepan-3-yl]-3-a…
| 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) | 0.28 | 3.8 | -39.4 | 2 | 4 | 1 | 54 | 209.269 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.28 | 2.42 | -8.55 | 1 | 4 | 0 | 49 | 208.261 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-azabicyclo[3.1.0]hexane-2,4-quinone](http://zinc12.docking.org/img/rings/30292.gif)
![3-(azepan-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-quinone](http://zinc12.docking.org/img/rings/395351.gif)