| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2012 | 16 | Yes |
Popular Name: (R)-3-(p-Trifluoromethylphenyl)-beta-alanine (R)-3-(p-Trifluoromethylphenyl)-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1060814-62-1 , 774178-39-1 , [774178-39-1]
| 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) | 1.33 | 4.85 | -39.06 | 3 | 3 | 0 | 68 | 233.189 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 4.47 | -39 | 2 | 3 | -1 | 66 | 232.181 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.