| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 15 | Yes |
Popular Name: 2-(3'-Pyridyl)benzoic acid 2-(3'-Pyridyl)benzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 134363-45-4 , [134363-45-4]
| 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) | 2.19 | 0.24 | -55.52 | 0 | 3 | -1 | 53 | 198.201 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 0.35 | -46.89 | 1 | 3 | 0 | 54 | 199.209 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.