| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | 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) | 1.74 | 6.07 | -85.89 | 4 | 4 | 2 | 45 | 291.439 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 4.5 | -44.74 | 3 | 4 | 1 | 43 | 290.431 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 4.1 | -4.19 | 2 | 4 | 0 | 42 | 289.423 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.74 | 8.02 | -175.21 | 5 | 4 | 3 | 46 | 292.447 | 5 | ↓ |
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-phenoxyethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/312585.gif)