In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 26 | Yes |
Popular Name: N-(3-cyano-4-methyl-2-thienyl)-2-[4-(3-cyano-2-pyridyl)piperazin-1-yl]acetamide N-(3-cyano-4-methyl-2-thienyl)-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) | 1.75 | 6.57 | -13.99 | 1 | 7 | 0 | 96 | 366.45 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 8.71 | -48.68 | 2 | 7 | 1 | 97 | 367.458 | 4 | ↓ |