In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2010 | 25 | Yes |
Popular Name: N-(2-cyanoethyl)-2-propylsulfanyl-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide N-(2-cyanoethyl)-2-propylsulfany…
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 | 9.94 | -15.09 | 0 | 5 | 0 | 70 | 354.479 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.52 | 10.29 | -44.79 | 1 | 5 | 1 | 71 | 355.487 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.