| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 17 | Yes |
Popular Name: (S)-3-(3-Acetyl-4-hydroxy-phenyl)-2; -amino-propionic acid methyl ester (S)-3-(3-Acetyl-4-hydroxy-phenyl…
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CAS Number: 57085-32-2
| 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) | 0.66 | 2.7 | -14.22 | 3 | 5 | 0 | 90 | 237.255 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 3 | -58.47 | 4 | 5 | 1 | 91 | 238.263 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 4.04 | -75.51 | 3 | 5 | 0 | 94 | 237.255 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 3.73 | -56.28 | 2 | 5 | -1 | 92 | 236.247 | 5 | ↓ |
