| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2012 | 13 | Yes |
Popular Name: 3-(3-Bromo-2-fluorophenyl)propanoic acid 3-(3-Bromo-2-fluorophenyl)propan…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1261814-91-8 , [1261814-91-8]
| 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) | 2.76 | 7.28 | -46.51 | 0 | 2 | -1 | 40 | 246.055 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 5.31 | -7.67 | 1 | 2 | 0 | 37 | 247.063 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.