UCSF

ZINC00246242

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Substance Information

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

Popular Name: 3-(Piperidin-1-ylsulfonyl)benzoic acid 3-(Piperidin-1-ylsulfonyl)benzoi…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 7311-93-5 , [7311-93-5]

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) 2.04 -3.95 -53.99 0 5 -1 77 268.314 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 178 - 180 Enamine Building Blocks
MP 178...180 Enamine Building Blocks
melting_point 179 - 181 KeyOrganics
MP 179-181° Matrix Scientific
MP 182 - 184 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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