| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 18 | Yes |
Popular Name: (9aR)-2-[2-[(2R)-2-piperidyl]ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aR)-2-[2-[(2R)-2-piperidyl]eth…
| 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) | 1.84 | 6.92 | -80.88 | 3 | 3 | 2 | 24 | 253.434 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 5.35 | -36.66 | 2 | 3 | 1 | 23 | 252.426 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 8.85 | -195.45 | 4 | 3 | 3 | 25 | 254.442 | 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-(2-piperidyl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/313082.gif)