| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | Yes |
Popular Name: 2-[(3-chloro-4-methyl-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3-chloro-4-methyl-anilino)me…
| 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) | 3.16 | 5.9 | -11.98 | 2 | 4 | 0 | 58 | 305.79 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 3.24 | -46.75 | 1 | 4 | -1 | 61 | 304.782 | 3 | ↓ |
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-(anilinomethyl)-3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/76532.gif)