UCSF

ZINC32292067

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 32 Yes

Popular Name: 4,4'-(1-(4-(2-(4-Hydroxyphenyl)propan-2-yl)phenyl)ethane-1,1-diyl)diphenol 4,4'-(1-(4-(2-(4-Hydroxyphenyl)p…

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CAS Number: 110726-28-8

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) 6.49 8.42 -15.12 3 3 0 61 424.54 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 225 TCI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50643-2-O Hepatitis C Virus (cluster #2 Of 5), Other Other 8370 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50643 Z50643 Hepatitis C Virus 8370 0.22 Functional ≤ 10μM

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

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