UCSF

ZINC00106688

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 15 Yes

Popular Name: 3-(3,4-Dimethoxyphenyl)propionic acid 3-(3,4-Dimethoxyphenyl)propionic…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2107-70-2 , 717-94-2 , [2107-70-2]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.53 5.83 -46.09 0 4 -1 59 209.221 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.82e-01 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
MP 96 - 97 Enamine Building Blocks
MP 96-97° Fluorochem
Melting_Point 96-99? Alfa-Aesar
Melting_Point 96-99° Alfa-Aesar
MP 96...97 Enamine Building Blocks
MP 97-98° Matrix Scientific
Purity 98% Fluorochem
MP 99 TCI
Purity 99% APIChem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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