UCSF

ZINC15021962

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 12 Yes

Popular Name: 6-Acetylpicolinic acid 6-Acetylpicolinic acid

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CAS Numbers: 122637-39-2 , [122637-39-2]

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) 0.31 2.95 -48.53 0 4 -1 70 164.14 2 ↓
Hi High (pH 8-9.5) 2.98 6.34 -5.07 0 2 0 26 234.249 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 137 - 139 KeyOrganics
Melting_Point 137? Alfa-Aesar
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.