| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2008 | 35 | Yes |
| 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) | 3.17 | 9.96 | -20.81 | 0 | 8 | 0 | 81 | 482.556 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 12.3 | -72.21 | 1 | 8 | 1 | 82 | 483.564 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5-benzoxy-2-[[4-(1H-pyrazole-5-carbonyl)piperazino]methyl]pyran-4-one](http://zinc12.docking.org/img/rings/96554.gif)