| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 36 | 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) | 1.56 | 9.48 | -87.91 | 2 | 10 | 1 | 110 | 495.508 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 7.21 | -38.17 | 1 | 10 | 0 | 109 | 494.5 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-(1,3-benzodioxol-5-yl)-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-keto-pyran-3-yl]oxy-acetamide](http://zinc12.docking.org/img/rings/582364.gif)