UCSF

ZINC05973900

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 12 Yes

Popular Name: 5,6-Dichloro-1H-benzo[d]imidazol-2-amine 5,6-Dichloro-1H-benzo[d]imidazol…

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CAS Numbers: 18672-03-2 , [18672-03-2]

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) 2.49 4.65 -7.42 3 3 0 55 202.044 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 244-246? Alfa-Aesar
Purity 95% Fluorochem

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 59 0.84 Functional ≤ 10μM
Z50468-2-O Giardia Intestinalis (cluster #2 Of 4), Other Other 218 0.78 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50422 Z50422 Entamoeba Histolytica 59 0.84 Functional ≤ 10μM
Z50468 Z50468 Giardia Intestinalis 218 0.78 Functional ≤ 10μM

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

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