| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 19 | Yes |
Popular Name: (2R)-3-[ethyl-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]amino]-2-methyl-propanenitrile (2R)-3-[ethyl-[(4-methoxy-3,5-di…
| 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) | 2.68 | 6.11 | -36.07 | 1 | 4 | 1 | 50 | 262.377 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 5.79 | -7.38 | 0 | 4 | 0 | 49 | 261.369 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 7.49 | -44.72 | 1 | 4 | 1 | 50 | 262.377 | 6 | ↓ |
