| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 15 | Yes |
Popular Name: (9aS)-2-[(3R)-pyrrolidin-3-yl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aS)-2-[(3R)-pyrrolidin-3-yl]-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) | 0.80 | 2.31 | -30.19 | 2 | 3 | 1 | 20 | 210.345 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 0.37 | -1.48 | 1 | 3 | 0 | 19 | 209.337 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 1.63 | -38.04 | 2 | 3 | 1 | 23 | 210.345 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 3.98 | -83.79 | 3 | 3 | 2 | 24 | 211.353 | 1 | ↓ |
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-pyrrolidin-3-yl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/312823.gif)