| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 13 | Yes |
Popular Name: (S)-beta-(4-methoxyphenyl)alaninol (S)-beta-(4-methoxyphenyl)alaninol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 176035-15-7 , 886061-27-4
| 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) | 0.40 | -0 | -42.43 | 4 | 3 | 1 | 57 | 182.243 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | -0.3 | -7 | 3 | 3 | 0 | 55 | 181.235 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0391107A1; US4952692 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.