UCSF

ZINC34070468

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 12 Yes

Popular Name: 5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine 5-Bromo-2-hydroxy-3-(trifluorome…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 76041-79-7 , [76041-79-7]

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) 2.16 3.05 -12.17 1 2 0 33 241.994 1 ↓
Mid Mid (pH 6-8) 2.62 1.92 -32.53 0 2 -1 36 240.986 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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