| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 23 | Yes |
Popular Name: 2-(4-ethoxy-4-oxo-butyl)sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic 2-(4-ethoxy-4-oxo-butyl)sulfanyl…
| 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) | 2.88 | 7.11 | -55.67 | 1 | 7 | -1 | 112 | 355.417 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 5.91 | -102.12 | 0 | 7 | -2 | 115 | 354.409 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/13361.gif)