UCSF

ZINC02531019

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 6 Yes

Popular Name: 2-Iodoimidazole 2-Iodoimidazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3034-62-6 , 71759-89-2 , [3034-62-6]

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) 1.33 2.28 -5.78 1 2 0 29 193.975 0 ↓
Mid Mid (pH 6-8) 1.33 2.79 -28.78 2 2 1 30 194.983 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 179 - 181 Enamine Building Blocks
MP 179...181 Enamine Building Blocks
Melting_Point 190-191? Alfa-Aesar
Melting_Point 190-191° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% APIChem

Activity (Go SEA)

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

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