In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2004 | 28 | No |
Popular Name: 2-[[3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-5-yl]thio]-N-(3-nitrophenyl)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) | 3.61 | 8.69 | -32.29 | 2 | 9 | 0 | 126 | 464.301 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.61 | 8.55 | -52.92 | 1 | 9 | -1 | 124 | 463.293 | 8 | ↓ |