| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 20 | No |
Popular Name: 3-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-(2,5-dimethyl-3-thieny…
| 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) | 2.79 | 9.05 | -12.34 | 1 | 3 | 0 | 38 | 322.48 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 7.99 | -40.22 | 0 | 3 | -1 | 41 | 321.472 | 2 | ↓ |
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-(3-thenyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/212082.gif)