| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 21 | No |
Popular Name: 2-[2-[(3-amino-2-pyridyl)sulfanyl]ethyl]isoindoline-1,3-dione 2-[2-[(3-amino-2-pyridyl)sulfany…
| 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) | 2.28 | 5.34 | -12.69 | 2 | 5 | 0 | 78 | 299.355 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.28 | 5.74 | -31.97 | 3 | 5 | 1 | 79 | 300.363 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[2-(2-pyridylthio)ethyl]isoindoline-1,3-quinone](http://zinc12.docking.org/img/rings/545602.gif)