UCSF

ZINC39953637

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 11 Yes

Popular Name: 2-Amino-4,5-difluorobenzonitrile 2-Amino-4,5-difluorobenzonitrile

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CAS Numbers: 219823-49-1 , [219823-49-1]

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) 1.36 2.87 -5.44 2 2 0 50 154.119 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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