| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 18 | Yes |
Popular Name: (9aS)-2-[2-(4-piperidyl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aS)-2-[2-(4-piperidyl)ethyl]-1…
| 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) | 1.55 | 6.36 | -75.3 | 3 | 3 | 2 | 24 | 253.434 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 4.2 | -37.77 | 2 | 3 | 1 | 23 | 252.426 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 8.33 | -172.56 | 4 | 3 | 3 | 25 | 254.442 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 6.15 | -89.36 | 3 | 3 | 2 | 24 | 253.434 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/22747.gif)
![2-[2-(4-piperidyl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/313171.gif)