UCSF

ZINC03887202

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 19 Yes

Popular Name: 2-methyl-5-(piperidin-1-ylsulfonyl)benzoic acid 2-methyl-5-(piperidin-1-ylsulfon…

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CAS Number: 329908-47-6

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) 2.11 -3.77 -54.84 0 5 -1 77 282.341 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 197 - 199 Enamine Building Blocks
MP 197...199 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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