| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2011 | 46 | No |
| 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) | 1.49 | 11.8 | -63.45 | 5 | 9 | -1 | 148 | 619.742 | 13 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 12.1 | -92.22 | 6 | 9 | 0 | 149 | 620.75 | 13 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 12.72 | -60.97 | 6 | 9 | 0 | 152 | 620.75 | 13 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[(2-hydrocinnamoyl-3,4-dihydro-1H-isoquinolin-3-yl)methylamino]-N-phenethyl-3-phenyl-propionamide](http://zinc12.docking.org/img/rings/446263.gif)