| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 33 | 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) | 1.50 | 0.77 | -48.74 | 4 | 12 | -1 | 174 | 445.371 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | -0.04 | -112.08 | 3 | 12 | -2 | 177 | 444.363 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 0.62 | -97.18 | 3 | 12 | -2 | 177 | 444.363 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.50 | 0.9 | -49.88 | 4 | 12 | -1 | 174 | 445.371 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 0.62 | -97.18 | 3 | 12 | -2 | 177 | 444.363 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 2.88 | -22.92 | 5 | 12 | 0 | 171 | 446.379 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/40362.gif)
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