UCSF

ZINC00409302

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 13 Yes

Popular Name: L-4-methoxymandelic acid L-4-methoxymandelic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10502-44-0 , 20714-89-0 , 75172-66-6 , [10502-44-0] , [75172-66-6]

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) 0.43 1.91 -46.11 1 4 -1 70 181.167 3 ↓
Hi High (pH 8-9.5) 4.02 8.95 -1.72 0 0 0 0 328.113 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 105-109? Alfa-Aesar
Melting_Point 105-109° Alfa-Aesar
Purity 95% Fluorochem
Purity 99% APIChem

Activity (Go SEA)

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