UCSF

ZINC02598962

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 12 Yes

Popular Name: 4-amino-2,3-dimethylbenzoic acid 4-amino-2,3-dimethylbenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5628-44-4 , 6933-47-7 , [5628-44-4]

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) 1.75 3.17 -54.21 2 3 -1 66 164.184 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
PUBCHEM_PATENT_ID EP0820444A1; US4457910; US5234686; US5723483; US5925661; US5936123; US5939449; US5965579; WO1993010756A1; WO1997029735A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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