| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2011 | 32 | No |
Popular Name: isopropyl isopropyl
| 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) | 3.88 | 5.52 | -24.59 | 3 | 11 | 0 | 167 | 478.508 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.34 | 4.31 | -47.6 | 2 | 11 | -1 | 170 | 477.5 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.34 | 5.08 | -83.85 | 1 | 11 | -2 | 173 | 476.492 | 8 | ↓ |
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-[(4-keto-1H-thieno[2,3-d]pyrimidin-2-yl)thio]-N-phenyl-acetamide](http://zinc12.docking.org/img/rings/18269.gif)