| 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) | 0.45 | 4.62 | -102.47 | 4 | 4 | 2 | 48 | 276.428 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 3.5 | -3.35 | 2 | 4 | 0 | 45 | 274.412 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 3.71 | -39.54 | 3 | 4 | 1 | 47 | 275.42 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.45 | 5.08 | -173.69 | 5 | 4 | 3 | 49 | 277.436 | 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-(3-pyridylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/312717.gif)