| 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) | 0.87 | 7.76 | -30.27 | 3 | 3 | 1 | 34 | 288.459 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 6.25 | -45.42 | 3 | 3 | 1 | 34 | 288.459 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 7.71 | -29.55 | 3 | 3 | 1 | 34 | 288.459 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 6.15 | -1.94 | 2 | 3 | 0 | 32 | 287.451 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.87 | 7.81 | -106.82 | 4 | 3 | 2 | 35 | 289.467 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.87 | 9.3 | -101.31 | 4 | 3 | 2 | 35 | 289.467 | 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-phenethyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/274124.gif)