UCSF

ZINC03848012

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 22 No

Popular Name: [2,5-dimethyl-4-(2,2,2-trifluoroacetyl)oxy-phenyl] [2,5-dimethyl-4-(2,2,2-trifluoro…

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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) 3.23 8.54 -4.45 0 4 0 52 330.18 6 ↓

Vendor Notes

Note Type Comments Provided By
mp 88.5 - 89.5 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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