| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 22 | No |
Popular Name: 3-[(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)methyl]benzonitrile 3-[(6-ethyl-4-oxo-2-thioxo-1H-th…
| 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) | 2.92 | 10.05 | -10.92 | 1 | 4 | 0 | 62 | 327.434 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 8.81 | -35.5 | 0 | 4 | -1 | 65 | 326.426 | 3 | ↓ |
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-benzyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/28257.gif)