In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 26th, 2006 | 27 | No |
Popular Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)-ethanone 2-[(5-benzyl-4-ethyl-1,2,4-triaz…
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) | 3.93 | 2.56 | -14.1 | 0 | 7 | 0 | 93 | 382.445 | 8 | ↓ |