| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 38 | Yes |
Popular Name: 2-[4-[[6-[(4-heptanoylpiperazin-1-yl)methyl]-4-oxo-pyran-3-yl]oxymethyl]phenyl]benzonitrile 2-[4-[[6-[(4-heptanoylpiperazin-…
| 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) | 5.12 | 14.59 | -22.77 | 0 | 7 | 0 | 87 | 513.638 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.12 | 16.87 | -68.83 | 1 | 7 | 1 | 88 | 514.646 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
