UCSF

ZINC02990591

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 19 Yes

Popular Name: 3,3-Bis(4-hydroxyphenyl)pentane; 4,4'-(1-Ethylpropane-1,1,-diyl)diphenol; C15206 3,3-Bis(4-hydroxyphenyl)pentane;…

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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) 4.37 4.82 -5.76 2 2 0 40 256.345 4 ↓
Hi High (pH 8-9.5) 4.37 5.59 -47.96 1 2 -1 43 255.337 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100497-2-O Bovine Viral Diarrhea Virus (cluster #2 Of 3), Other Other 10000 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100497 Z100497 Bovine Viral Diarrhea Virus 10000 0.37 Functional ≤ 10μM

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

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