In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2009 | 29 | Yes |
Popular Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide 2-[(5-oxo-4-phenethyl-1H-1,2,4-t…
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) | 3.48 | 9.88 | -12.99 | 2 | 6 | 0 | 80 | 422.432 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.93 | 9.06 | -48.77 | 1 | 6 | -1 | 83 | 421.424 | 8 | ↓ |