UCSF

ZINC00156746

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 16 Yes

Popular Name: 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID 5-(2,5-DICHLOROPHENYL)-2-FUROIC …

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CAS Number: 186830-98-8

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) 3.97 1.08 -50.21 0 3 -1 53 256.064 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 233-237? Alfa-Aesar
Melting_Point 233-237° Alfa-Aesar
ALOGPS_SOLUBILITY 3.12e-02 g/l DrugBank-experimental

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 693 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 693 0.54 Binding ≤ 1μM
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 693 0.54 Binding ≤ 10μM

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