| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2011 | 17 | Yes |
Popular Name: 4-(4-Cyanophenyl)nicotinic acid 4-(4-Cyanophenyl)nicotinic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1261943-53-6 , [1261943-53-6]
| 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) | 1.75 | 7.08 | -44.49 | 0 | 4 | -1 | 77 | 223.211 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 7.54 | -48.29 | 1 | 4 | 0 | 78 | 224.219 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
