UCSF

ZINC00395572

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

Popular Name: 3,5-Dimethoxyphenylacetic acid 3,5-Dimethoxyphenylacetic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10/4/4670 12:00:00 AM , 4670-10-4 , 4670/10/4 , [4670-10-4]

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) 1.40 3.53 -50.32 0 4 -1 59 195.194 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 101 TCI
Melting_Point 102-104? Alfa-Aesar
Melting_Point 102-104° Alfa-Aesar
MP 103-105° Matrix Scientific
Purity 89% Fluorochem
Purity 98% Matrix Scientific
MP 99-100° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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