In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 17 | Yes |
Popular Name: (1S,2R,3S)-2-[(1S)-1-amino-2-hydroxy-2-oxo-ethyl]-3-phenyl-cyclopropane-1-carboxylic (1S,2R,3S)-2-[(1S)-1-amino-2-hyd…
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) | -1.35 | 3.99 | -87.75 | 3 | 5 | -1 | 108 | 234.231 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO1997019049A1 | IBM Patent Data |