| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 24 | No |
Popular Name: 4-[[4-(3-nitro-2-pyridyl)piperazin-1-yl]methyl]benzonitrile 4-[[4-(3-nitro-2-pyridyl)piperaz…
| 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) | 2.10 | 8.95 | -12.54 | 0 | 7 | 0 | 89 | 323.356 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 11.16 | -53.89 | 1 | 7 | 1 | 90 | 324.364 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
