| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 23 | No |
Popular Name: (E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethyl-phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one (E)-1-(2,4-dihydroxy-6-methoxy-3…
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| 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) | 3.56 | 1.99 | -11.56 | 3 | 5 | 0 | 87 | 314.337 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 2.75 | -45.46 | 2 | 5 | -1 | 90 | 313.329 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80249-1-O | MDCK (Kidney Cells) (cluster #1 Of 2), Other | Other | 4900 | 0.32 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80249 | Z80249 | MDCK (Kidney Cells) | 4900 | 0.32 | ADME/T ≤ 10μM |
