UCSF

ZINC01762244

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 15 Yes

Popular Name: 3-(2,3-DIMETHOXYPHENYL)PROPANOIC ACID 3-(2,3-DIMETHOXYPHENYL)PROPANOIC…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10538-48-4 , [10538-48-4]

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) 1.70 5.94 -49.42 0 4 -1 59 209.221 5 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 58-60? Alfa-Aesar
Melting_Point 58-60° Alfa-Aesar
MP 58-60°/1mm Matrix Scientific
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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