UCSF

ZINC00156571

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 3-(4-Hydroxy-3-methoxyphenyl)propanoic acid 3-(4-Hydroxy-3-methoxyphenyl)pro…

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CAS Numbers: 1135-23-5 , [1135-23-5]

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) 1.22 2.86 -47.02 1 4 -1 70 195.194 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 87-92? Alfa-Aesar
Melting_Point 87-92° Alfa-Aesar
MP 91 TCI
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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