| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | No |
Popular Name: (E)-4-oxo-4-[4-(2-pyridylmethyl)piperazin-1-yl]but-2-enoic (E)-4-oxo-4-[4-(2-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) | -0.45 | 4.31 | -47.51 | 0 | 6 | -1 | 77 | 274.3 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.45 | 6.53 | -67.49 | 1 | 6 | 0 | 78 | 275.308 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.45 | 5.05 | -66.96 | 1 | 6 | 0 | 78 | 275.308 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.45 | 7.29 | -130.85 | 2 | 6 | 1 | 79 | 276.316 | 4 | ↓ |
