| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 22nd, 2011 | 21 | Yes |
Popular Name: 3-[(3R)-1-(3-methoxypropyl)-3-piperidyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine 3-[(3R)-1-(3-methoxypropyl)-3-pi…
| 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) | 1.41 | 8.79 | -44.85 | 1 | 5 | 1 | 44 | 293.435 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.41 | 6.57 | -10.29 | 0 | 5 | 0 | 43 | 292.427 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine](http://zinc12.docking.org/img/rings/3619.gif)
![3-(3-piperidyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine](http://zinc12.docking.org/img/rings/158575.gif)