UCSF

ZINC00081227

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: 5,6-DICHLOROBENZIMIDAZOLE 5,6-DICHLOROBENZIMIDAZOLE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 20076-54-4 , 6478-73-5 , [6478-73-5]

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) 2.69 5.13 -7.53 1 2 0 29 187.029 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 205 - 206 KeyOrganics
MP 205-206° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP0716856A2; US5550111 IBM Patent Data
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4950764 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-3-O Entamoeba Histolytica (cluster #3 Of 5), Other Other 96 0.89 Functional ≤ 10μM
Z50468-2-O Giardia Intestinalis (cluster #2 Of 4), Other Other 358 0.82 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50422 Z50422 Entamoeba Histolytica 96 0.89 Functional ≤ 10μM
Z50468 Z50468 Giardia Intestinalis 358 0.82 Functional ≤ 10μM

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

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