| 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) | 1.58 | 9.17 | -91.5 | 3 | 4 | 2 | 37 | 276.428 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 7.59 | -42.77 | 2 | 4 | 1 | 36 | 275.42 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 6.53 | -27.48 | 2 | 4 | 1 | 33 | 275.42 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 6.22 | -4.64 | 1 | 4 | 0 | 31 | 274.412 | 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-(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)