In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 29 | Yes |
Popular Name: 2-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone 2-[(5-benzyl-4-isopropyl-1,2,4-t…
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) | 3.98 | 12.22 | -15.04 | 0 | 6 | 0 | 66 | 411.527 | 9 | ↓ |