| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 21 | No |
Popular Name: (9aR)-2-isopentyl-4,7-dimethyl-9aH-purino[7,8-a]imidazole-1,3-dione (9aR)-2-isopentyl-4,7-dimethyl-9…
| 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) | 1.14 | 9.22 | -10.38 | 0 | 7 | 0 | 71 | 289.339 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 9.67 | -29.2 | 1 | 7 | 1 | 72 | 290.347 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4,9a-dihydropurino[7,8-a]imidazole-1,3-quinone](http://zinc12.docking.org/img/rings/591466.gif)