In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 33 | No |
Popular Name: N-[4-(2-methylphenoxy)phenyl]-2-[[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[4-(2-methylphenoxy)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) | 5.32 | 12.02 | -18.78 | 2 | 9 | 0 | 126 | 461.503 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.32 | 11.82 | -46.46 | 1 | 9 | -1 | 124 | 460.495 | 8 | ↓ |