UCSF

ZINC15042087

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 7 Yes

Popular Name: 5-Bromo-3-methylisothiazole 5-Bromo-3-methylisothiazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 20493-60-1 , [20493-60-1]

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) 2.22 3.32 -3.02 0 1 0 13 178.054 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 76-78°/15mm Oakwood Chemical
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.