| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 25 | No |
Popular Name: 6-ethyl-3-[(4-hydroxy-5-propoxy-2-pyridyl)methyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-[(4-hydroxy-5-propoxy-…
| 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) | 2.08 | 9.27 | -20.39 | 2 | 6 | 0 | 80 | 377.491 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 7.99 | -38.8 | 1 | 6 | -1 | 83 | 376.483 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/28218.gif)
![3-[(4-keto-1H-pyridin-2-yl)methyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/28285.gif)