UCSF

ZINC05425423

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 10 Yes

Popular Name: 5-Chlorobenzimidazole 5-Chlorobenzimidazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4887-82-5 , [4887-82-5]

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) 2.08 4.66 -8.26 1 2 0 29 152.584 0 ↓
Lo Low (pH 4.5-6) 2.08 5.14 -36.66 2 2 1 30 153.592 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 131 TCI
Purity 97% Fluorochem
PUBCHEM_PATENT_ID US4002479; US4030931; US4917997 IBM Patent Data
PUBCHEM_PATENT_ID US4599151; US4713452; US4740596; US4798890 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 39 1.04 Functional ≤ 10μM
Z50468-2-O Giardia Intestinalis (cluster #2 Of 4), Other Other 282 0.92 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50422 Z50422 Entamoeba Histolytica 39 1.04 Functional ≤ 10μM
Z50468 Z50468 Giardia Intestinalis 282 0.92 Functional ≤ 10μM

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

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