| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 22 | Yes |
Popular Name: 2-amino-5-(2,6-dimethylphenyl)sulfanyl-6-ethyl-3,7-dihydropyrrolo[3,2-e]pyrimidin-4-one 2-amino-5-(2,6-dimethylphenyl)su…
None
| 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) | 3.29 | 7.99 | -13.68 | 4 | 5 | 0 | 88 | 314.414 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 5.58 | -57.04 | 3 | 5 | -1 | 91 | 313.406 | 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)
![5-(phenylthio)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/224833.gif)