UCSF

ZINC00586482

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 No

Popular Name: 4-Allylbenzene-1,2-diol 4-Allylbenzene-1,2-diol

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CAS Numbers: 1126-61-0 , [1126-61-0]

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) 1.79 1.56 -5.97 2 2 0 40 150.177 2 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Antimutagen IBScreen Bioactives IBScreen Bioactives
biological_use Antioxidant IBScreen Bioactives
biological_use Antitumour IBScreen Bioactives
biological_source Present in betel leaves ZereneX Building Blocks

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