In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 24 | Yes |
Popular Name: 6-[4-(3-cyanobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile 6-[4-(3-cyanobenzoyl)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) | 1.08 | 8.71 | -14.53 | 0 | 6 | 0 | 84 | 317.352 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.