UCSF

ZINC00042732

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: O-Ethylbenzoin O-Ethylbenzoin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 574-09-4 , [574-09-4]

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) 3.40 2.13 -9.85 0 2 0 26 240.302 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 194-195?/20mm Alfa-Aesar
Boiling_Point 194-195°/20mm Alfa-Aesar
Melting_Point 55-59? Alfa-Aesar
Melting_Point 55-59° Alfa-Aesar
MP 61 TCI

Activity (Go SEA)

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