| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2011 | 17 | Yes |
Popular Name: (9aR)-2-(5-bromopyrimidin-2-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aR)-2-(5-bromopyrimidin-2-yl)-…
| 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) | 2.48 | 9.79 | -34.11 | 1 | 4 | 1 | 33 | 298.208 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 8.2 | -4.29 | 0 | 4 | 0 | 32 | 297.2 | 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-(2-pyrimidyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/313016.gif)