| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 23 | No |
Popular Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-prop-2-ynyl-propanamide 3-[3-(4-ethoxyphenyl)-5-thioxo-1…
| 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) | 1.53 | 7.28 | -15.67 | 2 | 6 | 0 | 72 | 330.413 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 7.12 | -48.34 | 1 | 6 | -1 | 69 | 329.405 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
