| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 20 | No |
Popular Name: (E)-3-[5-(4-methylpiperazine-1-carbonyl)-3-pyridyl]prop-2-enoic (E)-3-[5-(4-methylpiperazine-1-c…
| 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) | -0.67 | 3.98 | -46.75 | 0 | 6 | -1 | 77 | 274.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.67 | 6.33 | -74.26 | 1 | 6 | 0 | 78 | 275.308 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
