| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2006 | 20 | No |
Popular Name: 2-(3,4-Dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one 2-(3,4-Dihydroxyphenyl)-7-hydrox…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2150-11-0 , [2150-11-0]
| 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) | 2.27 | 0.64 | -18.53 | 3 | 5 | 0 | 91 | 270.24 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 1.42 | -45.68 | 2 | 5 | -1 | 94 | 269.232 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P. | 330-332 C | Indofine |
| MP | 330-332o C | Indofine |
| SOLUBILITY | Soluble in Methanol or Acetone | Indofine |
| APPEARANCE | Yellow crystalline material | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 6520 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_BOVIN | P16116 | Aldose Reductase, Bovin | 6520 | 0.36 | Binding ≤ 10μM |
