UCSF

ZINC00394334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 Yes

Popular Name: Methyl 4-hydroxy-3,5-dimethoxybenzoate Methyl 4-hydroxy-3,5-dimethoxybe…

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CAS Numbers: 884-35-5 , [884-35-5]

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) 1.46 2.18 -8.37 1 5 0 65 212.201 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 102-108? Alfa-Aesar
Melting_Point 104-108? Alfa-Aesar
Melting_Point 104-108° Alfa-Aesar
ALOGPS_SOLUBILITY 2.64e+00 g/l DrugBank-experimental
Purity 95% Fluorochem

Activity (Go SEA)

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