UCSF

ZINC26479958

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 18 Yes

Popular Name: 5-[2-(methoxycarbonyl)phenyl]-2-furoic acid 5-[2-(methoxycarbonyl)phenyl]-2-…

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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) 2.47 7.26 -65.27 0 5 -1 80 245.21 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM-3-B Methionine Aminopeptidase (cluster #3 Of 3), Bacterial Bacteria 3470 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 3470 0.42 Binding ≤ 10μM

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

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