| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 25 | Yes |
Popular Name: 3-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-9-azaspiro[5.5]undecane 3-[4-(4-pyridylmethyl)-1,4-diaze…
| 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) | 1.45 | 8.25 | -87.19 | 3 | 4 | 2 | 37 | 344.547 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 6.23 | -41.91 | 2 | 4 | 1 | 36 | 343.539 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 8.14 | -94.32 | 3 | 4 | 2 | 37 | 344.547 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.45 | 10.15 | -192.96 | 4 | 4 | 3 | 38 | 345.555 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![9-azaspiro[5.5]undecane](http://zinc12.docking.org/img/rings/124728.gif)
![3-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-9-azaspiro[5.5]undecane](http://zinc12.docking.org/img/rings/530445.gif)