UCSF

ZINC00280585

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 15 Yes

Popular Name: 5-(2-chlorophenyl)furan-2-carboxylic acid 5-(2-chlorophenyl)furan-2-carbox…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 41019-43-6 , [41019-43-6]

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) 3.32 7.8 -53.58 0 3 -1 53 221.619 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 210 - 212 Enamine Building Blocks
MP 210...212 Enamine Building Blocks
ALOGPS_SOLUBILITY 6.40e-02 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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 780 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 510 0.59 Binding ≤ 1μM
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 510 0.59 Binding ≤ 10μM

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