| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | Yes |
Popular Name: (2R,3S)-2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-3-methyl-pentanamide (2R,3S)-2-amino-N-[(2-cyanopheny…
| 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) | 1.63 | 6.44 | -42.2 | 3 | 4 | 1 | 72 | 274.388 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 6.11 | -6.38 | 2 | 4 | 0 | 70 | 273.38 | 6 | ↓ |
