| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | No |
| 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) | 0.64 | 5.31 | -38.18 | 4 | 5 | 1 | 59 | 262.381 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 4.93 | -34.15 | 4 | 5 | 1 | 59 | 262.381 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 5.4 | -73.65 | 5 | 5 | 2 | 60 | 263.389 | 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)