UCSF

ZINC00001380

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 17 Yes

Popular Name: 4-[(Diethylamino)sulfonyl]benzoic acid 4-[(Diethylamino)sulfonyl]benzoi…

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CAS Numbers: 1213-06-5 , [1213-06-5]

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) 1.91 4.78 -48.25 0 5 -1 78 256.303 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 160 - 162 Enamine Building Blocks
MP 196 - 198 Enamine Building Blocks
MP 196...198 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% )