UCSF

ZINC00349812

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 18 Yes

Popular Name: 5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID 5-[2-(TRIFLUOROMETHYL)PHENYL]-2-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 92973-24-5 , [92973-24-5]

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) 3.53 8.22 -56.76 0 3 -1 53 255.171 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.04e-02 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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 290 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 290 0.51 Binding ≤ 1μM
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 290 0.51 Binding ≤ 10μM

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

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