| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2011 | 16 | Yes |
Popular Name: 4-(3-Methylphenyl)pyridine-2-carboxylic acid 4-(3-Methylphenyl)pyridine-2-car…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1255636-64-6 , [1255636-64-6]
| 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) | 2.90 | 7.39 | -54.26 | 0 | 3 | -1 | 53 | 212.228 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.90 | 7.8 | -35.55 | 1 | 3 | 0 | 54 | 213.236 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
