UCSF

ZINC32915163

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 12 Yes

Popular Name: 3-hydroxy-1H-1,8-naphthyridin-2-one 3-hydroxy-1H-1,8-naphthyridin-2-one

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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) 0.72 0.78 -9.4 2 4 0 66 162.148 0 ↓
Hi High (pH 8-9.5) 1.18 -0.3 -44.6 1 4 -1 69 161.14 0 ↓
Hi High (pH 8-9.5) 0.72 1.63 -49.92 1 4 -1 69 161.14 0 ↓

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 8 0.94 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXDA_RAT O35078 D-amino-acid Oxidase, Rat 200 0.78 Binding ≤ 1μM
OXDA_HUMAN P14920 D-amino-acid Oxidase, Human 2 1.01 Binding ≤ 1μM
OXDA_HUMAN P14920 D-amino-acid Oxidase, Human 2 1.01 Binding ≤ 10μM
OXDA_RAT O35078 D-amino-acid Oxidase, Rat 200 0.78 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.