In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 30th, 2006 | 24 | Yes |
Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide N-[2-(1-cyclohexenyl)ethyl]-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) | 3.91 | 8.79 | -19.31 | 2 | 5 | 0 | 71 | 342.468 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.91 | 8.64 | -48.94 | 1 | 5 | -1 | 69 | 341.46 | 7 | ↓ |