In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 19 | Yes |
Popular Name: 3-allylsulfanyl-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole 3-allylsulfanyl-5-(3-isopropoxyp…
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) | 3.84 | 7.89 | -6.86 | 1 | 4 | 0 | 51 | 275.377 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.84 | 7.69 | -44.75 | 0 | 4 | -1 | 49 | 274.369 | 6 | ↓ |