UCSF

ZINC03897185

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 18 No

Popular Name: 4-Chloro-2'-hydroxychalcone 4-Chloro-2'-hydroxychalcone

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Other Names:

MFCD00045764

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) 4.43 0.92 -9.52 1 2 0 37 258.704 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 150-151.6o C Indofine
M.P. 150-152 C Indofine
SOLUBILITY Soluble in Chloroform Indofine
APPEARANCE Yellow fluffy powder Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFB-6-E Monoamine Oxidase B (cluster #6 Of 8), Eukaryotic Eukaryotes 160 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 160 0.53 Binding ≤ 1μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 160 0.53 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2

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

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