UCSF

ZINC09592675

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2007 12 Yes

Popular Name: 3-HYDROXYQUINOLIN-2(1H)-ONE 3-HYDROXYQUINOLIN-2(1H)-ONE

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CAS Number: 26386-86-7

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) 0.87 2.55 -51.65 1 3 -1 56 160.152 0 ↓
Lo Low (pH 4.5-6) 0.87 1.77 -7.23 2 3 0 53 161.16 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OXDA-1-E D-amino-acid Oxidase (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.98 Binding ≤ 10μM
OXDD-1-E D-aspartate Oxidase (cluster #1 Of 1), Eukaryotic Eukaryotes 855 0.71 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXDA_HUMAN P14920 D-amino-acid Oxidase, Human 13 0.92 Binding ≤ 1μM
OXDA_RAT O35078 D-amino-acid Oxidase, Rat 215 0.78 Binding ≤ 1μM
OXDD_HUMAN Q99489 D-aspartate Oxidase, Human 855 0.71 Binding ≤ 1μM
OXDA_HUMAN P14920 D-amino-acid Oxidase, Human 13 0.92 Binding ≤ 10μM
OXDA_RAT O35078 D-amino-acid Oxidase, Rat 215 0.78 Binding ≤ 10μM
OXDD_HUMAN Q99489 D-aspartate Oxidase, Human 855 0.71 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glyoxylate metabolism

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

No pre-computed analogs available. Try a structural similarity search.