UCSF

ZINC01553976

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 18 Yes

Popular Name: (1,1'-Biphenyl)-2,2'-diol, 3,3',5,5'-tetrabromo-; 2,2'-Biphenyldiol, 3,3',5,5'-tetrabromo-; 2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl; 3,3',5,5'-Tetrabromo-2,2'-biphenyldiol; 3,3',5,5'-Tetrabromo-2.2'-dihydroxybiphenyl; 3,5,3',5'-Tetrabromo-2,2'-dihydro (1,1'-Biphenyl)-2,2'-diol, 3,3',…

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Other Names:

MFCD00065414

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) 6.24 -4.73 -3.5 2 2 0 40 501.794 1 ↓

Vendor Notes

Note Type Comments Provided By
mp 204 - 205 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50185-2-O Staphylococcus Aureus (cluster #2 Of 4), Other Other 2140 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50185 Z50185 Staphylococcus Aureus 2140 0.44 Functional ≤ 10μM

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

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