UCSF

ZINC04090723

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 17 No

Popular Name: 4-Hydroxychalcone 4-Hydroxychalcone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 20426-12-4 , 2657-25-2 , 38239-55-3

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) 3.33 6.39 -9.21 1 2 0 37 224.259 3 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Tuberculostatic ZereneX Building Blocks
mp 115 - 116 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 183-185? Alfa-Aesar
Melting_Point 183-185° Alfa-Aesar
M.P. 184-186 C Indofine
MP 184-186o C Indofine
MP 185 TCI
Purity 97% Fluorochem
biological_use Antibacterial IBScreen Bioactives
biological_source Constit. of Glycyrrhiza glabra roots ZereneX Building Blocks
mechanism Glutathione reductase inhibitor IBScreen Bioactives
APPEARANCE Lemmon yellow shining powder Indofine
SOLUBILITY Soluble in Methanol Indofine
SOLUBILITY Souble in Methanol Indofine
biological_use Tuberculostatic IBScreen Bioactives IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-3-O Homo Sapiens (cluster #3 Of 9), Other Other 9310 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 8580 0.42 Functional ≤ 10μM

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