| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 17 | Yes |
Popular Name: (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-methyl-butanamide (2S)-2-amino-N-[(4-cyanophenyl)m…
| 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) | 0.56 | 4.78 | -46.46 | 3 | 4 | 1 | 72 | 232.307 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.56 | 4.45 | -10.95 | 2 | 4 | 0 | 70 | 231.299 | 4 | ↓ |
