In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2009 | 20 | Yes |
Popular Name: (2R)-1-[2-[4-(cyanomethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide (2R)-1-[2-[4-(cyanomethyl)phenox…
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) | 1.67 | 4.92 | -44.02 | 3 | 5 | 1 | 81 | 274.344 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.43 | 3.54 | -36.37 | 2 | 5 | 0 | 84 | 273.336 | 6 | ↓ |