| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: (2S,3R)-2-amino-N-[(4-cyano-2-fluoro-phenyl)methyl]-N-ethyl-3-methyl-pentanamide (2S,3R)-2-amino-N-[(4-cyano-2-fl…
| 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) | 1.77 | 6.81 | -45.92 | 3 | 4 | 1 | 72 | 292.378 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 6.47 | -6.96 | 2 | 4 | 0 | 70 | 291.37 | 6 | ↓ |
