| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2010 | 13 | No |
Popular Name: (2S)-2-[[(1R)-2-ethoxy-1-methyl-2-oxo-ethyl]amino]propanoic (2S)-2-[[(1R)-2-ethoxy-1-methyl-…
| 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) | -1.21 | 4.4 | -36.68 | 2 | 5 | 0 | 83 | 189.211 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.21 | 3.58 | -53.81 | 1 | 5 | -1 | 78 | 188.203 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4496542; US4558038 | IBM Patent Data |
