UCSF

ZINC00286041

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Substance Information

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

Popular Name: 4-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid 4-[(4-methylpiperidin-1-yl)sulfo…

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CAS Numbers: , 385381-42-0

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) 2.31 -3.54 -49.35 0 5 -1 77 282.341 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 180 - 182 Enamine Building Blocks
MP 180...182 Enamine Building Blocks
MP 268 - 270 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem
Warnings IRRITANT Matrix Scientific

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