UCSF

ZINC14989363

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 13 Yes

Popular Name: Methyl 2-amino-4,5-difluorobenzoate Methyl 2-amino-4,5-difluorobenzoate

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CAS Numbers: 207346-42-7 , [207346-42-7]

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) 1.96 3.35 -4.56 2 3 0 52 187.145 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 79 - 81 Enamine Building Blocks
MP 79...81 Enamine Building Blocks
MP 81 - 83 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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