| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 22 | Yes |
Popular Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[2-(azepan-1-yl)-2-oxo-ethyl]s…
| 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) | 3.21 | 6.76 | -15.58 | 1 | 5 | 0 | 66 | 337.47 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 5.29 | -48.27 | 0 | 5 | -1 | 69 | 336.462 | 3 | ↓ |
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)
![2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/28326.gif)