UCSF

ZINC02243967

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 19 Yes

Popular Name: 1-(3,4-Difluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid 1-(3,4-Difluorobenzyl)-6-oxo-1,6…

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CAS Numbers: 242797-28-0 , 242797-29-1 , [242797-29-1]

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) 2.02 2.65 -45.8 0 4 -1 62 264.207 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 214 - 216 KeyOrganics
MP 214-216° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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