In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2004 | 30 | Yes |
Popular Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone 2-[[4-allyl-5-(3-pyridyl)-1,2,4-…
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) | 5.01 | 1.89 | -12.22 | 0 | 5 | 0 | 60 | 412.518 | 8 | ↓ |