| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | Yes |
Popular Name: (2S)-2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-butanediamide (2S)-2-amino-N-[(2-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) | 0.23 | 2.31 | -46.23 | 5 | 6 | 1 | 115 | 275.332 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.23 | 1.96 | -15.73 | 4 | 6 | 0 | 113 | 274.324 | 6 | ↓ |
