| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 24 | No |
Popular Name: N-ethyl-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-methylallyl)acetamide N-ethyl-2-[3-(4-methoxyphenyl)-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) | 2.54 | 9.45 | -16.64 | 1 | 6 | 0 | 63 | 346.456 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 9.56 | -57.6 | 0 | 6 | -1 | 60 | 345.448 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
