| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2010 | 16 | No |
Popular Name: (7R,8aS)-7-methyl-2-sulfanyl-6,7,8,8a-tetrahydro-5H-benzothiopheno[2,3-d]pyrimidin-4-one (7R,8aS)-7-methyl-2-sulfanyl-6,7…
| 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) | 1.65 | 5.43 | -14.73 | 1 | 3 | 0 | 46 | 252.364 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 3.59 | -55.74 | 0 | 3 | -1 | 49 | 251.356 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-thioxo-6,7,8,8a-tetrahydro-5H-benzothiopheno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/595974.gif)