| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 21 | No |
Popular Name: (8aS)-2-(4-hydroxyphenyl)-6,7,8,8a-tetrahydro-5H-benzothiopheno[2,3-d]pyrimidin-4-one (8aS)-2-(4-hydroxyphenyl)-6,7,8,…
| 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) | 3.30 | 4.88 | -16.68 | 1 | 4 | 0 | 63 | 298.367 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 5.65 | -54.73 | 0 | 4 | -1 | 66 | 297.359 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6,7,8,8a-tetrahydro-5H-benzothiopheno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/1845.gif)
![2-phenyl-6,7,8,8a-tetrahydro-5H-benzothiopheno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/596133.gif)