UCSF

ZINC00155127

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 17 No

Popular Name: 5-(2-NITROPHENYL)-2-FUROIC ACID 5-(2-NITROPHENYL)-2-FUROIC ACID

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CAS Number: 29048-34-8

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) 2.60 2.16 -67.47 0 6 -1 99 232.171 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 217 - 219 Enamine Building Blocks
MP 217...219 Enamine Building Blocks
ALOGPS_SOLUBILITY 7.93e-02 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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 1080 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 1080 0.49 Binding ≤ 10μM

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

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