| 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) | 0.93 | 7.59 | -38.64 | 3 | 3 | 1 | 34 | 308.877 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 5.97 | -48.36 | 3 | 3 | 1 | 34 | 308.877 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 5.67 | -2.87 | 2 | 3 | 0 | 32 | 307.869 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 7.54 | -94.35 | 4 | 3 | 2 | 35 | 309.885 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.93 | 9.16 | -104.74 | 4 | 3 | 2 | 35 | 309.885 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.93 | 9.47 | -215.31 | 5 | 3 | 3 | 37 | 310.893 | 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-(3-phenylpropyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/312809.gif)