| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 28 | Yes |
Popular Name: 2-benzyl-N-(2-diethylaminoethyl)-5-methyl-4-oxo-3H-thieno[5,4-d]pyrimidine-6-carboxamide 2-benzyl-N-(2-diethylaminoethyl)…
| 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) | 3.40 | 9 | -47 | 3 | 6 | 1 | 79 | 399.54 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 5.77 | -23.26 | 2 | 6 | 0 | 78 | 398.532 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 6.8 | -68.27 | 2 | 6 | 0 | 82 | 398.532 | 8 | ↓ |
![3H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/3143.gif)
![2-benzyl-3H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/110514.gif)
