| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 22 | Yes |
Popular Name: 2-isobutylsulfanyl-6-methyl-5-phenyl-3H-thieno[4,5-e]pyrimidin-4-one 2-isobutylsulfanyl-6-methyl-5-ph…
| 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) | 5.29 | 9.14 | -15.32 | 1 | 3 | 0 | 46 | 330.478 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.74 | 7.8 | -48.08 | 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)
![5-phenyl-1H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/35588.gif)