| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 13 | No |
Popular Name: Butanoic acid, 2-[(methoxycarbonyl)amino]-3-oxo-, methyl ester Butanoic acid, 2-[(methoxycarbon…
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CAS Number: 952029-14-0
| 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) | 1.14 | 1 | -10 | 1 | 6 | 0 | 82 | 189.167 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 0.28 | -38.6 | 1 | 6 | -1 | 88 | 188.159 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.