| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2011 | 23 | No |
Popular Name: (E)-3-(2,6-dichlorophenyl)-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide (E)-3-(2,6-dichlorophenyl)-N-[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) | 2.64 | 9.22 | -21.27 | 2 | 5 | 0 | 63 | 371.293 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 8.99 | -53.68 | 1 | 5 | -1 | 60 | 370.285 | 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)