In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 16 | Yes |
Popular Name: [(3R,4S)-3,4-dihydroxy-1-piperidyl]-phenyl-methanone [(3R,4S)-3,4-dihydroxy-1-piperid…
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) | -0.62 | 0.29 | -13.59 | 2 | 4 | 0 | 61 | 221.256 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0741731A1 | IBM Patent Data |