In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 19 | Yes |
Popular Name: 3-allylsulfanyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole 3-allylsulfanyl-5-[(4-methoxyphe…
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) | 2.77 | 5.81 | -8.31 | 1 | 5 | 0 | 60 | 277.349 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.77 | 5.62 | -44.04 | 0 | 5 | -1 | 58 | 276.341 | 7 | ↓ |