UCSF

ZINC03861066

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 Yes

Popular Name: 2,4,6-Triiodophenol 2,4,6-Triiodophenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 609-23-4 , 72100-00-6

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) 4.82 5.03 -1.68 1 1 0 20 471.801 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 156-160? Alfa-Aesar
Melting_Point 156-160° Alfa-Aesar
MP 157 - 159 Enamine Building Blocks
MP 157...159 Enamine Building Blocks
MP 160 TCI
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
TTHY-3-E Transthyretin (cluster #3 Of 3), Eukaryotic Eukaryotes 3200 0.77 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TTHY_HUMAN P02766 Transthyretin, Human 3200 0.77 Binding ≤ 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% )