| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 23 | No |
Popular Name: (3E)-3-[1-[4-chloro-3-(trifluoromethyl)anilino]ethylidene]-6-methyl-pyran-2,4-dione (3E)-3-[1-[4-chloro-3-(trifluoro…
| 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) | 4.25 | 7.99 | -37.65 | 0 | 4 | -1 | 66 | 344.696 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.25 | 7.23 | -22.62 | 1 | 4 | 0 | 63 | 345.704 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
