UCSF

ZINC04240518

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 No

Popular Name: methyl 2-amino-3-nitrobenzoate methyl 2-amino-3-nitrobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 57113-91-4 , 95067-27-9 , [57113-91-4]

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) 1.64 4.09 -8.76 2 6 0 98 196.162 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 97-98° Oakwood Chemical
Purity 98% Fluorochem

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

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