In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2011 | 16 | Yes |
Popular Name: (2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide (2S)-1-[(4-fluorophenyl)methyl]p…
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) | 1.59 | 4.32 | -41.34 | 3 | 3 | 1 | 48 | 223.271 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.59 | 2.45 | -10.83 | 2 | 3 | 0 | 46 | 222.263 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0253785A1; EP0253785B1; EP0270596A1; US5300660; US5468876 | IBM Patent Data |