In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 29 | Yes |
Popular Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(2-pyridyl)piperazin-1-yl]acetamide N-(2-cyanoethyl)-N-(4-ethoxyphen…
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) | 1.97 | 9.68 | -39.76 | 1 | 7 | 1 | 74 | 394.499 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 9.38 | -16.09 | 0 | 7 | 0 | 73 | 393.491 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.