In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 26 | Yes |
Popular Name: (2S,3R)-3,6-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5,7-dimethoxy-chroman-4-one (2S,3R)-3,6-dihydroxy-2-(4-hydro…
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) | 1.14 | 0.46 | -13.22 | 3 | 8 | 0 | 115 | 362.334 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z102342-1-O | Liver (cluster #1 Of 1), Other | Other | 1900 | 0.31 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z102342 | Z102342 | Liver | 1900 | 0.31 | Functional ≤ 10μM |