| 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) | 1.19 | 7.93 | -85.82 | 3 | 5 | 2 | 50 | 277.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 4.98 | -7.18 | 1 | 5 | 0 | 44 | 275.4 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 6.55 | -39.31 | 2 | 5 | 1 | 45 | 276.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 6.36 | -40.55 | 2 | 5 | 1 | 49 | 276.408 | 4 | ↓ |
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-pyridazin-3-yl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/312576.gif)