| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 20 | Yes |
Popular Name: 3-chloro-4-[methyl-(2-oxo-2-piperazin-1-yl-ethyl)amino]benzonitrile 3-chloro-4-[methyl-(2-oxo-2-pipe…
| 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) | 1.05 | 6.77 | -50.39 | 2 | 5 | 1 | 64 | 293.778 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 5.47 | -8.72 | 1 | 5 | 0 | 59 | 292.77 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
