| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 17 | Yes |
Popular Name: (2S)-2-amino-N-(2-cyanoethyl)-N-isobutyl-butanediamide (2S)-2-amino-N-(2-cyanoethyl)-N-…
| 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) | -0.67 | 0.24 | -46.97 | 5 | 6 | 1 | 115 | 241.315 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.67 | -0.13 | -16.15 | 4 | 6 | 0 | 113 | 240.307 | 7 | ↓ |
