UCSF

ZINC04202413

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 12 Yes

Popular Name: Pyrazine-2,5-dicarboxylic acid Pyrazine-2,5-dicarboxylic acid

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CAS Numbers: 122-05-4 , 205692-63-3 , N/A , [122-05-4]

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) -0.15 0.06 -94.83 0 6 -2 106 166.092 2 ↓
Hi High (pH 8-9.5) 3.11 7.6 -28.72 1 1 1 4 168.304 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 255-260? lit. Alfa-Aesar
MP 271-272°(dec.) Oakwood Chemical
Purity 95% Fluorochem
Purity 97% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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