| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 32 | 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) | 1.13 | 11.21 | -72.85 | 1 | 8 | 1 | 83 | 443.52 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-2-(piperidinomethyl)pyran-4-one](http://zinc12.docking.org/img/rings/582363.gif)