In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2009 | 19 | Yes |
Popular Name: N-(4-bromo-3-methyl-phenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(4-bromo-3-methyl-phenyl)-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) | 2.39 | 5.98 | -20.03 | 2 | 5 | 0 | 71 | 341.234 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.39 | 5.85 | -42.93 | 1 | 5 | -1 | 69 | 340.226 | 4 | ↓ |