In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 29th, 2009 | 23 | Yes |
Popular Name: 3-[4-(2-fluoro-N-propanoyl-anilino)-1-piperidyl]propanoic 3-[4-(2-fluoro-N-propanoyl-anili…
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) | 1.62 | 10.64 | -44.45 | 1 | 5 | 0 | 65 | 322.38 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.62 | 8.39 | -50.53 | 0 | 5 | -1 | 64 | 321.372 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5019583; US5466700 | IBM Patent Data |