UCSF

ZINC00294781

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: Phenyl 4-methoxybenzoate Phenyl 4-methoxybenzoate

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CAS Number: 4181-97-9

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) 3.86 2.87 -7.87 0 3 0 35 228.247 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5030703 IBM Patent Data

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