| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2013 | 11 | Yes |
Popular Name: H-Asp(OMe)-OH.HCl H-Asp(OMe)-OH.HCl
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CAS Number: 16856-13-6
(S)-2-Amino-4-methoxy-4-oxobutyric acid hydrochloride
| 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) | -2.81 | 0.24 | -40.34 | 3 | 5 | 0 | 86 | 163.173 | 6 | ↓ |
| Hi High (pH 8-9.5) | -2.81 | -0.11 | -45.83 | 2 | 5 | -1 | 85 | 162.165 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.