| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 23 | Yes |
Popular Name: N-(2-cyanoethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]-1-piperidyl]-N-methyl-acetamide N-(2-cyanoethyl)-2-[4-[2-(2-hydr…
| 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 | 4.9 | -58.73 | 2 | 7 | 1 | 87 | 320.417 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.80 | 2.7 | -17.01 | 1 | 7 | 0 | 85 | 319.409 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
