UCSF

ZINC40428697

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 24 Yes

Popular Name: 4-hydroxy-N,N-bis(4-hydroxyphenyl)benzamide 4-hydroxy-N,N-bis(4-hydroxypheny…

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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) 3.33 1.94 -10.74 3 5 0 81 321.332 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 5 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80224 Z80224 MCF7 (Breast Carcinoma Cells) 5.2 0.48 Functional ≤ 10μM

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