UCSF

ZINC12496067

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 9 Yes

Popular Name: 5-amino-2-bromo-6-picoline 5-amino-2-bromo-6-picoline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 126325-47-1 , [126325-47-1]

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) 1.72 1.84 -5.9 2 2 0 39 187.04 0 ↓
Mid Mid (pH 6-8) 1.72 2.11 -25.94 3 2 1 40 188.048 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 106-109° Oakwood Chemical
Melting_Point 110-111? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% 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.