| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 30 | 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) | 2.63 | 5.73 | -18.43 | 2 | 7 | 0 | 97 | 404.47 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 4.89 | -53.7 | 1 | 7 | -1 | 100 | 403.462 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-[[6-keto-2-(2-pyridyl)-1H-pyrimidin-4-yl]methyl]isochroman-1-carboxamide](http://zinc12.docking.org/img/rings/49054.gif)