| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | Yes |
Popular Name: 4-[(4-cyano-2-fluoro-phenyl)methyl-ethyl-amino]-4-oxo-butanoic 4-[(4-cyano-2-fluoro-phenyl)meth…
| 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) | 1.07 | 8.45 | -53.73 | 0 | 5 | -1 | 84 | 277.275 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.07 | 6.48 | -13.89 | 1 | 5 | 0 | 81 | 278.283 | 6 | ↓ |
