| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 19 | Yes |
Popular Name: 3-chloro-4-[(2-oxo-2-piperazin-1-yl-ethyl)amino]benzonitrile 3-chloro-4-[(2-oxo-2-piperazin-1…
| 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) | 0.80 | 4.27 | -58.65 | 3 | 5 | 1 | 73 | 279.751 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 2.98 | -12.73 | 2 | 5 | 0 | 68 | 278.743 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
