UCSF

ZINC00300466

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Substance Information

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

Popular Name: 2-bromo-5-(pyrrolidin-1-ylsulfonyl)benzoic acid 2-bromo-5-(pyrrolidin-1-ylsulfon…

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CAS Number: 22361-65-5

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) 1.96 4.68 -49.78 0 5 -1 78 333.183 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 216 - 218 Enamine Building Blocks
MP 216...218 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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