In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 22 | Yes |
Popular Name: 1-[2-(1-piperidyl)pyridine-3-carbonyl]piperidine-4-carbonitrile 1-[2-(1-piperidyl)pyridine-3-car…
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) | 1.52 | 8.64 | -14.82 | 0 | 5 | 0 | 60 | 298.39 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.52 | 9.1 | -44.36 | 1 | 5 | 1 | 61 | 299.398 | 2 | ↓ |