| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 18 | 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) | 1.28 | 3.97 | -5.79 | 2 | 3 | 0 | 42 | 239.322 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 4.43 | -33.78 | 3 | 3 | 1 | 43 | 240.33 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 6.54 | -45.38 | 3 | 3 | 1 | 43 | 240.33 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[2-(4-pyridyl)ethyl]isoindoline](http://zinc12.docking.org/img/rings/562346.gif)