| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 21 | Yes |
Popular Name: 3,6,6-trimethyl-4-oxo-N-(4H-1,2,4-triazol-3-yl)-5,7-dihydrobenzofuran-2-carboxamide 3,6,6-trimethyl-4-oxo-N-(4H-1,2,…
None
| 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) | 1.40 | 7.66 | -18.75 | 2 | 7 | 0 | 101 | 288.307 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 6.1 | -48.95 | 1 | 7 | -1 | 107 | 287.299 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
