UCSF

ZINC00169239

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 19 Yes

Popular Name: 1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxylic acid 1-[(4-methylphenyl)sulfonyl]-4-p…

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CAS Numbers: 147636-36-0 , [147636-36-0]

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) 1.72 5.73 -52.65 0 5 -1 78 282.341 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 167 - 169 KeyOrganics
MP 181 - 183 Enamine Building Blocks
MP 181...183 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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