UCSF

ZINC03913574

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 18 Yes

Popular Name: 5-[(phenylsulfonyl)methyl]-2-furoic acid 5-[(phenylsulfonyl)methyl]-2-fur…

Find On: PubMed — Wikipedia — Google

CAS Number: 92959-89-2

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) 1.47 -2.57 -60.91 0 5 -1 87 265.266 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 180 - 182 Enamine Building Blocks
MP 180...182 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50600-2-O Vaccinia Virus (cluster #2 Of 2), Other Other 7400 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50600 Z50600 Vaccinia Virus 7400 0.40 Functional ≤ 10μM

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

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