UCSF

ZINC02525475

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 Yes

Popular Name: METHYL 5-ALLYL-2-HYDROXY-3-METHOXYBENZOATE METHYL 5-ALLYL-2-HYDROXY-3-METHO…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 85614-43-3 , [85614-43-3]

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) 2.51 5.09 -7.73 1 4 0 56 222.24 5 ↓
Hi High (pH 8-9.5) 2.51 6.02 -53.42 0 4 -1 59 221.232 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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