UCSF

ZINC49680270

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 31 No

Popular Name: bis(4-bromophenyl)BLAH bis(4-bromophenyl)BLAH

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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) 6.27 14.37 -13.95 0 5 0 52 536.227 2 ↓
Lo Low (pH 4.5-6) 6.27 14.89 -12.25 1 5 0 54 537.235 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104305-1-O Tumour Suppressor P53/oncoprotein Mdm2 (cluster #1 Of 1), Other Other 1230 0.27 Binding ≤ 10μM
Z104305-1-O Tumour Suppressor P53/oncoprotein Mdm2 (cluster #1 Of 1), Other Other 3880 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104305 Z104305 Tumour Suppressor P53/oncoprotein Mdm2 1230 0.27 Binding ≤ 10μM

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

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