| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 17 | Yes |
Popular Name: 5-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]pyridin-2-amine 5-[(9aR)-1,3,4,5,7,8,9,9a-octahy…
| 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) | 1.34 | 6.33 | -79.53 | 4 | 4 | 2 | 48 | 234.347 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 5.86 | -35.24 | 3 | 4 | 1 | 47 | 233.339 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 4.29 | -5.15 | 2 | 4 | 0 | 45 | 232.331 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 4.75 | -27.65 | 3 | 4 | 1 | 47 | 233.339 | 1 | ↓ |
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-pyridyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/313030.gif)