In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 28th, 2006 | 31 | Yes |
Popular Name: N-(2-benzoylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]acetamide N-(2-benzoylphenyl)-2-[[3-cyano-…
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) | 3.88 | 10.31 | -12.29 | 1 | 6 | 0 | 92 | 431.517 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.88 | 10.54 | -44.53 | 2 | 6 | 1 | 93 | 432.525 | 8 | ↓ |