In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2007 | 29 | Yes |
Popular Name: 2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]-acetamide 2-[(3-cyano-6-phenyl-2-pyridyl)s…
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) | 4.88 | 3.21 | -12.54 | 1 | 4 | 0 | 65 | 413.424 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.88 | 3.4 | -43.63 | 2 | 4 | 1 | 67 | 414.432 | 6 | ↓ |