In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2010 | 24 | Yes |
Popular Name: N-(2-cyanoethyl)-2-ethoxy-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide N-(2-cyanoethyl)-2-ethoxy-N-[2-(…
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) | 0.48 | 6.76 | -16.44 | 0 | 6 | 0 | 79 | 324.384 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.48 | 7.12 | -45.56 | 1 | 6 | 1 | 80 | 325.392 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.