| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 18 | Yes |
| 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) | -0.08 | 2.08 | -28.56 | 3 | 4 | 1 | 37 | 253.414 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.08 | 0.31 | -45.71 | 3 | 4 | 1 | 37 | 253.414 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 4.8 | -180.56 | 5 | 4 | 3 | 40 | 255.43 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 2.12 | -95.93 | 4 | 4 | 2 | 39 | 254.422 | 2 | ↓ |
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)