| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 38 | 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) | 1.93 | 11.85 | -85.38 | 3 | 9 | 1 | 107 | 518.59 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 9.57 | -36.2 | 2 | 9 | 0 | 106 | 517.582 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-keto-pyran-3-yl]oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide](http://zinc12.docking.org/img/rings/582314.gif)