UCSF

ZINC19423808

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 15 Yes

Popular Name: 4-(Isopropylsulfonyl)benzoic acid 4-(Isopropylsulfonyl)benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 20884-61-1 , [20884-61-1]

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) 1.46 3.15 -51.56 0 4 -1 74 227.261 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 186 - 188 Enamine Building Blocks
MP 186...188 Enamine Building Blocks
MP 188 - 190 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% )