UCSF

ZINC01673971

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: 4-ISOBUTYLBENZOIC ACID 4-ISOBUTYLBENZOIC ACID

Find On: PubMed — Wikipedia — Google

CAS Numbers: 38861-88-0 , [38861-88-0]

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) 3.15 1.67 -50.88 0 2 -1 40 177.223 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 144 TCI
MP 144 - 146 Enamine Building Blocks
MP 144...146 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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