| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 22 | Yes |
Popular Name: (7R)-7-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one (7R)-7-ethyl-2-pyrimidin-2-yl-5,…
| 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) | 3.19 | 7.03 | -12.53 | 1 | 5 | 0 | 72 | 312.398 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 5.07 | -57.28 | 0 | 5 | -1 | 75 | 311.39 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/3359.gif)
![2-(2-pyrimidyl)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/152031.gif)