| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 29 | Yes |
| 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) | 1.88 | 4.57 | -50.97 | 3 | 7 | 1 | 83 | 421.587 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 3.84 | -13.16 | 2 | 7 | 0 | 82 | 420.579 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 3.32 | -47.28 | 2 | 7 | 0 | 86 | 420.579 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | 4.72 | -50.56 | 3 | 7 | 1 | 83 | 421.587 | 7 | ↓ |
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-morpholinoethylamino)methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/73012.gif)