| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 24 | Yes |
Popular Name: (2R)-2-(azepan-1-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)propan-1-one (2R)-2-(azepan-1-yl)-1-(1,9-dime…
| 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) | 1.82 | 7.95 | -83.24 | 2 | 5 | 2 | 32 | 338.54 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 5.9 | -33.97 | 1 | 5 | 1 | 31 | 337.532 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,4,9-triazaspiro[5.5]undecane](http://zinc12.docking.org/img/rings/518796.gif)
![2-(azepan-1-yl)-1-(1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone](http://zinc12.docking.org/img/rings/579655.gif)