In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 18 | Yes |
Popular Name: 2-[(2S)-1-(4-cyano-2-fluoro-phenyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(4-cyano-2-fluoro-phen…
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) | 1.79 | 7.91 | -40.81 | 0 | 4 | -1 | 67 | 247.249 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.79 | 5.92 | -9.16 | 1 | 4 | 0 | 64 | 248.257 | 3 | ↓ |