UCSF

ZINC28869366

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 20 Yes

Popular Name: 4-(2,4-dichlorophenoxy)-3-methoxy-benzoic 4-(2,4-dichlorophenoxy)-3-methox…

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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) 4.67 7.92 -48.44 0 4 -1 59 312.128 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TTHY-1-E Transthyretin (cluster #1 Of 3), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
TTHY-1-E Transthyretin (cluster #1 Of 1), Eukaryotic Eukaryotes 475 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TTHY_HUMAN P02766 Transthyretin, Human 0.2 0.68 Binding ≤ 1μM
TTHY_HUMAN P02766 Transthyretin, Human 0.2 0.68 Binding ≤ 10μM
TTHY_HUMAN P02766 Transthyretin, Human 475 0.44 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Amyloids
Non-integrin membrane-ECM interactions
Retinoid cycle disease events
Retinoid metabolism and transport
The canonical retinoid cycle in rods (twilight vision)

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