| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 20 | Yes |
Popular Name: N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-9-azaspiro[5.5]undecan-3-amine N-[2-(1H-1,2,4-triazol-5-ylsulfa…
| 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) | 0.93 | 6.18 | -101.04 | 5 | 5 | 2 | 75 | 297.472 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 5.99 | -97.75 | 4 | 5 | 1 | 73 | 296.464 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![9-azaspiro[5.5]undecane](http://zinc12.docking.org/img/rings/124728.gif)
![9-azaspiro[5.5]undecan-3-yl-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]amine](http://zinc12.docking.org/img/rings/578852.gif)