| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 16 | No |
Popular Name: (E)-4-oxo-4-[[(1S)-1-(4-pyridyl)ethyl]amino]but-2-enoic (E)-4-oxo-4-[[(1S)-1-(4-pyridyl)…
| 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) | -0.15 | 3.91 | -46.13 | 1 | 5 | -1 | 82 | 219.22 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.15 | 4.37 | -69.03 | 2 | 5 | 0 | 83 | 220.228 | 4 | ↓ |
