| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 28 | Yes |
None
None
| 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) | 3.72 | 11.76 | -18.18 | 1 | 5 | 0 | 87 | 391.496 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.18 | 9.55 | -56.45 | 0 | 5 | -1 | 90 | 390.488 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 11.5 | -28.4 | 1 | 5 | 0 | 87 | 391.496 | 5 | ↓ |
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-keto-4-phenyl-butyl)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/475451.gif)