UCSF

ZINC00265874

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 16 Yes

Popular Name: 5-(2-Methoxy-phenyl)-furan-2-carboxylic acid 5-(2-Methoxy-phenyl)-furan-2-car…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 54023-04-0 , [54023-04-0]

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) 2.70 6.72 -56.41 0 4 -1 63 217.2 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.23e-01 g/l DrugBank-experimental
Purity 95% Fluorochem

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 558 0.55 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 558 0.55 Binding ≤ 1μM
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 558 0.55 Binding ≤ 10μM

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