| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 21 | No |
Popular Name: 3-ethyl-4-[(2,3,4,5,6-pentafluorophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione 3-ethyl-4-[(2,3,4,5,6-pentafluor…
| 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) | 2.07 | 7.68 | -10.22 | 1 | 4 | 0 | 46 | 322.262 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.80 | 7.82 | -47.63 | 0 | 4 | -1 | 43 | 321.254 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
