| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | 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) | 3.16 | 7.25 | -31.57 | 1 | 3 | 1 | 21 | 301.241 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 5.69 | -3.74 | 0 | 3 | 0 | 19 | 300.233 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 7.66 | -29.99 | 1 | 3 | 1 | 21 | 301.241 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | 9.2 | -99.38 | 2 | 3 | 2 | 22 | 302.249 | 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-(2-pyridylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/312609.gif)