| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 15 | Yes |
Popular Name: (4aR)-4a,6,7,8,9,10-hexahydropurino[7,8-a]azepin-4-one (4aR)-4a,6,7,8,9,10-hexahydropur…
| 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) | 0.49 | 3.78 | -12.9 | 0 | 5 | 0 | 57 | 204.233 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 4.19 | -37.61 | 1 | 5 | 1 | 59 | 205.241 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4a,6,7,8,9,10-hexahydropurino[7,8-a]azepin-4-one](http://zinc12.docking.org/img/rings/597074.gif)