UCSF

ZINC00053859

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 2-CHLORO-4,6-DIMETHYLNICOTINAMIDE 2-CHLORO-4,6-DIMETHYLNICOTINAMIDE

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CAS Numbers: 140413-44-1 , [140413-44-1]

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) 1.30 0.88 -10.26 2 3 0 56 184.626 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 130 - 132 Enamine Building Blocks
MP 130...132 Enamine Building Blocks
MP 172 - 174 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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