UCSF

ZINC02580665

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: 3-(3,5-Dimethoxyphenyl)propionic acid 3-(3,5-Dimethoxyphenyl)propionic…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 717-94-2 , [717-94-2]

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) 1.92 4.34 -48.73 0 4 -1 59 209.221 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 54 - 56 Enamine Building Blocks
MP 54...56 Enamine Building Blocks
MP 60-62° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Melting_Point 99? Alfa-Aesar
Melting_Point 99° Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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