| 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) | 0.41 | 7.02 | -32.95 | 3 | 3 | 1 | 34 | 274.432 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.41 | 6.61 | -29.94 | 3 | 3 | 1 | 34 | 274.432 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.41 | 5.04 | -2.48 | 2 | 3 | 0 | 32 | 273.424 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.41 | 5.79 | -41.81 | 3 | 3 | 1 | 34 | 274.432 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.41 | 7.36 | -99.14 | 4 | 3 | 2 | 35 | 275.44 | 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-phenethyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/274124.gif)