UCSF

ZINC06093399

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 20 No

Popular Name: 7,8-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-one 7,8-Dihydroxy-3-(4-hydroxy-pheny…

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CAS Number: 75187-63-2

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.30 1.66 -22.21 3 5 0 91 270.24 1 ↓
Hi High (pH 8-9.5) 2.30 2.22 -46.23 2 5 -1 94 269.232 1 ↓

Vendor Notes

Note Type Comments Provided By
M.P. 280-290C (dec) Indofine
Purity 98% Fluorochem
MP >300o C Indofine
APPEARANCE Colorless to pale yellow crystals Indofine
SOLUBILITY Soluble in DMSO Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
XDH-2-E Xanthine Dehydrogenase (cluster #2 Of 2), Eukaryotic Eukaryotes 6600 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
XDH_HUMAN P47989 Xanthine Dehydrogenase, Human 6600 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine catabolism

Analogs ( Draw Identity 99% 90% 80% 70% )