| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 19 | Yes |
Popular Name: (2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(3-pyridylmethyl)butanamide (2S)-2-amino-N-(2-cyanoethyl)-3-…
| 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) | -0.73 | 4.58 | -56.17 | 3 | 5 | 1 | 85 | 261.349 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.73 | 4.3 | -13.75 | 2 | 5 | 0 | 83 | 260.341 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.73 | 5.02 | -101.74 | 4 | 5 | 2 | 86 | 262.357 | 6 | ↓ |
