| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2009 | 19 | No |
Popular Name: (E)-4-[isobutyl(4-pyridylmethyl)amino]-4-oxo-but-2-enoic (E)-4-[isobutyl(4-pyridylmethyl)…
| 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) | 0.66 | 6.25 | -52.17 | 0 | 5 | -1 | 73 | 261.301 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.66 | 6.69 | -72.01 | 1 | 5 | 0 | 75 | 262.309 | 6 | ↓ |
