| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2011 | 22 | No |
Popular Name: (E)-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-3-(4-fluorophenyl)prop-2-enamide (E)-N-[2-(4-ethyl-5-sulfanyl-1,2…
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| 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) | 1.73 | 8.37 | -22.69 | 2 | 5 | 0 | 63 | 320.393 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 8.14 | -53.72 | 1 | 5 | -1 | 60 | 319.385 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-phenyl-N-[2-(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acrylamide](http://zinc12.docking.org/img/rings/462865.gif)