| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 31 | Yes |
Popular Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(p-tolyl)-3H-thieno[3,2-e]pyrimidin-4-one 2-[2-(4-tert-butylphenoxy)ethyls…
| 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) | 7.78 | 12.6 | -19.04 | 1 | 4 | 0 | 55 | 450.629 | 7 | ↓ |
| Mid Mid (pH 6-8) | 8.21 | 11.36 | -48.85 | 0 | 4 | -1 | 58 | 449.621 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/13361.gif)
![2-(2-phenoxyethylthio)-5-phenyl-1H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/55911.gif)