UCSF

ZINC05278610

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 17 No

Popular Name: 2-Chlorochalcone 2-Chlorochalcone

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CAS Numbers: , 22966-11-6 , 3300-67-2 , [22966-11-6]

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) 4.26 2.13 -9.68 0 1 0 17 242.705 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 2600 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50422 Z50422 Entamoeba Histolytica 2600 0.46 Functional ≤ 10μM

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