In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2006 | 25 | No |
Popular Name: 2-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)-ethanone 2-[[5-(2-hydroxyphenyl)-1H-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) | 3.27 | 8 | -15.34 | 2 | 8 | 0 | 125 | 356.363 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.27 | 7.86 | -41.55 | 1 | 8 | -1 | 123 | 355.355 | 6 | ↓ |