In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2008 | 21 | Yes |
Popular Name: 3-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-4-fluoro-benzoic 3-[[(3S,5S)-3,5-dimethyl-1-piper…
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) | 2.88 | 5.14 | -49.51 | 0 | 5 | -1 | 78 | 314.358 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5091394; US5292755 | IBM Patent Data |