| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 15 | Yes |
Popular Name: 3-(3-Hydroxy-4-methoxyphenyl)-DL-beta-alanine 3-(3-Hydroxy-4-methoxyphenyl)-DL…
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CAS Numbers: 129042-81-5 , 54503-13-8 , [129042-81-5]
(S)-3-Amino-2-(3-hydroxy-4-methoxyphenyl)propanoic acid
| 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 | 0.84 | -45.47 | 4 | 5 | 0 | 97 | 211.217 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 0.55 | -44.3 | 3 | 5 | -1 | 96 | 210.209 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 15.16 | -27.94 | 0 | 10 | 0 | 124 | 500.5 | 14 | ↓ |
No pre-computed analogs available. Try a structural similarity search.