| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2011 | 21 | No |
Popular Name: 2-sulfanyl-3-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-sulfanyl-3-(3,3,3-trifluoropro…
| 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) | 3.17 | 8.94 | -9.23 | 1 | 3 | 0 | 38 | 334.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 7.72 | -33.96 | 0 | 3 | -1 | 41 | 333.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/175556.gif)