| 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) | 1.49 | 6.92 | -88.46 | 4 | 4 | 2 | 48 | 282.819 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 5.34 | -50.29 | 3 | 4 | 1 | 47 | 281.811 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 4.93 | -4.18 | 2 | 4 | 0 | 45 | 280.803 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 6.52 | -30.94 | 3 | 4 | 1 | 47 | 281.811 | 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-pyridyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/312572.gif)