| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 15 | Yes |
Popular Name: (R)-3-(3-Hydroxy-4-methoxyphenyl)-beta-alanine (R)-3-(3-Hydroxy-4-methoxyphenyl…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 129042-81-5 , 925221-88-1 , [129042-81-5] , [925221-88-1]
3-(3-Hydroxy-4-methoxyphenyl)-DL-beta-alanine
| 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) | -0.23 | 0.98 | -40.43 | 4 | 5 | 0 | 97 | 211.217 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 0.47 | -47.83 | 3 | 5 | -1 | 96 | 210.209 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.