| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 21 | No |
Popular Name: 3-[(3,5-dimethylisoxazol-4-yl)methyl]-6-ethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 3-[(3,5-dimethylisoxazol-4-yl)me…
| 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) | 2.04 | 7.51 | -9.9 | 1 | 5 | 0 | 64 | 321.427 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 6.36 | -32.24 | 0 | 5 | -1 | 67 | 320.419 | 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-(isoxazol-4-ylmethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/28266.gif)