| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 20 | No |
Popular Name: (E)-3-[3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]phenyl]prop-2-enoic (E)-3-[3-[2-(1H-1,2,4-triazol-5-…
| 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) | 1.94 | 8.04 | -53.12 | 1 | 6 | -1 | 91 | 290.324 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 7.84 | -92.03 | 0 | 6 | -2 | 89 | 289.316 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
