| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 15 | Yes |
Popular Name: (2S)-3-[ethyl(3-pyridylmethyl)amino]-2-methyl-propanenitrile (2S)-3-[ethyl(3-pyridylmethyl)am…
| 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) | 1.41 | 4.87 | -7.09 | 0 | 3 | 0 | 40 | 203.289 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 6.71 | -48.66 | 1 | 3 | 1 | 41 | 204.297 | 5 | ↓ |
