UCSF

ZINC21994738

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 Yes

Popular Name: 2-Amino-4,6-dimethoxybenzoic acid 2-Amino-4,6-dimethoxybenzoic acid

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CAS Numbers: 21577-57-1 , [21577-57-1]

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) 0.96 0.77 -57.01 2 5 -1 85 196.182 3 ↓
Hi High (pH 8-9.5) 0.90 4.93 -96.59 6 8 2 115 377.452 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 106 - 108 Enamine Building Blocks
MP 106...108 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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