UCSF

ZINC02651907

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 13 No

Popular Name: [(3-Chlorobenzyl)thio]acetic acid [(3-Chlorobenzyl)thio]acetic acid

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CAS Numbers: 34722-33-3 , [34722-33-3]

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) 2.33 0.39 -45.96 0 2 -1 40 215.681 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 74 - 76 Enamine Building Blocks
MP 74...76 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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