UCSF

ZINC03243303

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 18 Yes

Popular Name: 2-[(2-Chlorobenzyl)oxy]benzoic acid 2-[(2-Chlorobenzyl)oxy]benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 52803-70-0 , [52803-70-0]

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) 4.16 9.57 -55.18 0 3 -1 49 261.684 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 119 - 121 Enamine Building Blocks
MP 119...121 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0711288A1; WO1995004049A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

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