UCSF

ZINC14980241

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 12 Yes

Popular Name: 6-methoxy-2,3-dihydro-1,2-benzoxazol-3-one 6-methoxy-2,3-dihydro-1,2-benzox…

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CAS Number: 89942-57-4

Other Names:

MFCD13180533

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) 1.67 -1.22 -9.12 1 4 0 55 165.148 1 ↓
Ref Reference (pH 7) 1.67 -0.44 -47.21 0 4 -1 58 164.14 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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 2570 0.65 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXDA_PIG P00371 D-amino-acid Oxidase, Pig 2570 0.65 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.