UCSF

ZINC00409285

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: 1-phenylethyl acetate 1-phenylethyl acetate

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CAS Numbers: 103-45-7 , 93-92-5 , [93-92-5]

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) 2.34 2.71 -5.87 0 2 0 26 164.204 3 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.493 Bitter DB
Purity 95% Fluorochem

Activity (Go SEA)

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