In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2005 | 29 | Yes |
Popular Name: 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone 2-[[4-phenethyl-5-(3-pyridyl)-1,…
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) | 4.37 | 1.34 | -12.95 | 0 | 5 | 0 | 60 | 400.507 | 8 | ↓ |