UCSF

ZINC01126779

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 Yes

Popular Name: 4-Isobutoxy-3-methoxybenzoic acid 4-Isobutoxy-3-methoxybenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3535-35-1 , [353-54-8] , [3535-35-1]

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) 2.62 1.56 -49.07 0 4 -1 58 223.248 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 145 - 147 Enamine Building Blocks
MP 145...147 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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