| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2010 | 20 | Yes |
Popular Name: 2-[(2-cyclohexen-1-ylethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-cyclohexen-1-ylethylamino)…
| 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) | 2.79 | 6.96 | -56.73 | 3 | 4 | 1 | 62 | 290.412 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 4.33 | -49.6 | 2 | 4 | 0 | 65 | 289.404 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 5.06 | -21.22 | 2 | 4 | 0 | 58 | 289.404 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/4166.gif)
![2-[(2-cyclohexen-1-ylethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/410975.gif)