UCSF

ZINC03374687

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 20 Yes

Popular Name: 1-[(3,4-dimethylphenyl)sulfonyl]piperidine-4-carboxylic acid 1-[(3,4-dimethylphenyl)sulfonyl]…

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CAS Numbers: 727983-31-5 , [727983-31-5]

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) 2.10 -3.18 -53.6 0 5 -1 77 296.368 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 190 - 192 Enamine Building Blocks
MP 190...192 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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