| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | 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) | 3.50 | 8.57 | -33.28 | 1 | 3 | 1 | 25 | 423.194 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.50 | 8.9 | -38.62 | 1 | 3 | 1 | 25 | 423.194 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.50 | 7 | -5.8 | 0 | 3 | 0 | 24 | 422.186 | 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-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(3-thienyl)ethanone](http://zinc12.docking.org/img/rings/313308.gif)