UCSF

ZINC01436069

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 12 Yes

Popular Name: 2,3-Diaminobenzoic acid methyl ester 2,3-Diaminobenzoic acid methyl e…

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CAS Numbers: 107582-20-7 , 1189942-66-2 , [107582-20-7]

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) 1.16 1.38 -5.72 4 4 0 78 166.18 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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