| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 14 | Yes |
Popular Name: (2r,3s)-3-phenylisoserinemethylester (2r,3s)-3-phenylisoserinemethyle…
Find On: PubMed — Wikipedia — Google
CAS Number: 131968-74-6
| 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) | -1.36 | 1.8 | -47.58 | 4 | 4 | 1 | 74 | 196.226 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.36 | 1.46 | -6.36 | 3 | 4 | 0 | 73 | 195.218 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.36 | 2.51 | -45.45 | 3 | 4 | 0 | 77 | 195.218 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0912504A1; US6057452; WO1997042167A1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US5468888; US6025516 | IBM Patent Data |
