| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 20 | Yes |
Popular Name: 3-[isobutyl-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]amino]propanenitrile 3-[isobutyl-[(4-methoxy-3,5-dime…
| 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) | 2.35 | 7.92 | -36.6 | 1 | 4 | 1 | 50 | 276.404 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.35 | 6.24 | -8.29 | 0 | 4 | 0 | 49 | 275.396 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.35 | 8.07 | -47.44 | 1 | 4 | 1 | 50 | 276.404 | 7 | ↓ |
