| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 22 | Yes |
Popular Name: 2-[(4-isopropylphenyl)methylsulfanyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[(4-isopropylphenyl)methylsulf…
| 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) | 5.55 | 9.16 | -14.69 | 1 | 3 | 0 | 46 | 330.478 | 4 | ↓ |
| Mid Mid (pH 6-8) | 6.00 | 7.71 | -48.34 | 0 | 3 | -1 | 49 | 329.47 | 4 | ↓ |
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-(benzylthio)-1H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/28341.gif)