UCSF

ZINC04672582

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2005 13 No

Popular Name: N-(3-bromophenyl)-2,2-dichloro-acetamide N-(3-bromophenyl)-2,2-dichloro-a…

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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) 3.09 -1.21 -8.54 1 2 0 29 282.952 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80682-2-O A549 (Lung Carcinoma Cells) (cluster #2 Of 11), Other Other 7800 0.55 Functional ≤ 10μM
Z81115-1-O KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other Other 8180 0.55 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80682 Z80682 A549 (Lung Carcinoma Cells) 7800 0.55 Functional ≤ 10μM
Z81115 Z81115 KB (Squamous Cell Carcinoma) 8180 0.55 Functional ≤ 10μM

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

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