UCSF

ZINC00245822

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 Yes

Popular Name: 3-(pyrrolidin-1-ylsulfonyl)benzoic acid 3-(pyrrolidin-1-ylsulfonyl)benzo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7326-79-6 , [7326-79-6]

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) 1.54 4.19 -53.07 0 5 -1 78 254.287 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 149 - 151 KeyOrganics
MP 149-151° Matrix Scientific
MP 157 - 159 Enamine Building Blocks
MP 157...159 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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