UCSF

ZINC28951301

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 21 Yes

Popular Name: 3,5-dichloro-N-(3,5-difluorophenyl)-2-hydroxy-benzenesulfonamide 3,5-dichloro-N-(3,5-difluorophen…

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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) 3.95 3.31 -34.69 1 4 -1 68 353.153 3 ↓
Hi High (pH 8-9.5) 3.95 4.15 -101.71 0 4 -2 71 352.145 3 ↓
Mid Mid (pH 6-8) 3.95 4.11 -32.52 1 4 -1 69 353.153 3 ↓
Mid Mid (pH 6-8) 3.95 3.27 -9.85 2 4 0 66 354.161 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACLY-1-E ATP-citrate Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 7600 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACLY_HUMAN P53396 ATP-citrate Synthase, Human 7600 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ChREBP activates metabolic gene expression
Fatty Acyl-CoA Biosynthesis

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