| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 28 | 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) | 2.66 | 8.54 | -50.41 | 3 | 6 | 1 | 80 | 406.572 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 5.84 | -47.69 | 2 | 6 | 0 | 83 | 405.564 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 6.4 | -12.81 | 2 | 6 | 0 | 78 | 405.564 | 9 | ↓ |
![5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/3359.gif)
![2-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/76096.gif)
