In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2004 | 24 | Yes |
Popular Name: 2-[[3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-5-yl]thio]-N-(2,2,2-trifluoroethyl)acetamide 2-[[3-[(4-bromophenoxy)methyl]-1…
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) | 2.91 | 5.54 | -17.57 | 2 | 6 | 0 | 80 | 425.23 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 5.38 | -42.17 | 1 | 6 | -1 | 78 | 424.222 | 8 | ↓ |