| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2009 | 24 | Yes |
Popular Name: 4-cyano-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide 4-cyano-N-[6-(3-oxopiperazin-1-y…
| 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) | 1.43 | 2.96 | -20.33 | 2 | 7 | 0 | 98 | 321.34 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.43 | 3.41 | -54.71 | 3 | 7 | 1 | 99 | 322.348 | 3 | ↓ |
