| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2009 | 16 | 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) | 0.73 | 5.12 | -8.94 | 0 | 4 | 0 | 52 | 216.24 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.73 | 5.59 | -35.24 | 1 | 4 | 1 | 53 | 217.248 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[2-(3-pyridyl)ethyl]-3-pyrroline-2,5-quinone](http://zinc12.docking.org/img/rings/573387.gif)