UCSF

ZINC21981906

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 9 Yes

Popular Name: 2-Bromo-5-hydroxy-3-picoline 2-Bromo-5-hydroxy-3-picoline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1003711-43-0 , [1003711-43-0]

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 2.14 -19.07 1 2 0 37 188.024 0 ↓
Hi High (pH 8-9.5) 2.17 0.89 -7.4 1 2 0 33 188.024 0 ↓
Mid Mid (pH 6-8) 2.17 1.68 -37.63 0 2 -1 36 187.016 0 ↓
Lo Low (pH 4.5-6) 2.17 1.36 -30.04 2 2 1 34 189.032 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP0652875A1; WO1994002478A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

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