UCSF

ZINC00246278

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 18 Yes

Popular Name: 2-bromo-5-[(diethylamino)sulfonyl]benzoic acid 2-bromo-5-[(diethylamino)sulfony…

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CAS Number: 22361-64-4

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) 2.31 -3.57 -51.57 0 5 -1 77 335.199 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 141 - 145 Enamine Building Blocks
MP 142 - 144 Enamine Building Blocks
MP 142...144 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US3992441; US4124590; US4138399; US4377521 IBM Patent Data

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