| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 18 | Yes |
Popular Name: (2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-pentanamide (2S)-2-amino-N-[(3-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) | 1.09 | 5.53 | -46.69 | 3 | 4 | 1 | 72 | 246.334 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.09 | 5.2 | -9.05 | 2 | 4 | 0 | 70 | 245.326 | 5 | ↓ |
