UCSF

ZINC02565808

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 1-Ethynyl-2-(trifluoromethyl)benzene 1-Ethynyl-2-(trifluoromethyl)ben…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 704-41-6 , 704-46-1 , [704-41-6]

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) 2.55 6.56 -6.09 0 0 0 0 170.133 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 45?/8mm Alfa-Aesar
Boiling_Point 45°/8mm Alfa-Aesar
Purity 98% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.