| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propyl-butanediamide (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) | 0.78 | 2.59 | -44.19 | 5 | 6 | 1 | 115 | 289.359 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.78 | 2.25 | -14.07 | 4 | 6 | 0 | 113 | 288.351 | 7 | ↓ |
