UCSF

ZINC01683334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 20 No

Popular Name: 5,5'-Dibrom-2,2'-dioxybenzil [German]; 5,5'-Dibromo-2,2'-dihydroxybenzil; 5,5'-Dibromo-2,2'-dihydroxybibenzoyl; 5,5'-Dibromosalicil; BRN 3384611; Bis(5-bromo-2-hydroxyphenyl)ethanedione; DBS; Degermon; Dibromosalicil; Dibromosalicyl; Dibromsalicil; Dibros 5,5'-Dibrom-2,2'-dioxybenzil [Ge…

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Other Names:

MFCD00055734

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) 4.06 -1.93 -9.65 2 4 0 74 400.022 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EST1-6-E Carboxylesterase (cluster #6 Of 7), Eukaryotic Eukaryotes 54 0.51 Binding ≤ 10μM
EST2-3-E Carboxylesterase 2 (cluster #3 Of 5), Eukaryotic Eukaryotes 73 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EST1_RABIT P12337 Acyl Coenzyme A:cholesterol Acyltransferase, Rabit 53.5 0.51 Binding ≤ 1μM
EST2_HUMAN O00748 Carboxylesterase 2, Human 72.7 0.50 Binding ≤ 1μM
EST1_RABIT P12337 Acyl Coenzyme A:cholesterol Acyltransferase, Rabit 53.5 0.51 Binding ≤ 10μM
EST2_HUMAN O00748 Carboxylesterase 2, Human 72.7 0.50 Binding ≤ 10μM

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

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