UCSF

ZINC04262041

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 18 Yes

Popular Name: Methyl benzilate Methyl benzilate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 76-89-1 , [76-89-1]

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) 2.17 1.5 -9.3 1 3 0 46 242.274 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 187?/13mm Alfa-Aesar
Boiling_Point 187°/13mm Alfa-Aesar
Melting_Point 73-76? Alfa-Aesar
Melting_Point 73-76° Alfa-Aesar

Activity (Go SEA)

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