UCSF

ZINC00073738

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 2-(Trifluoromethyl)benzimidazole 2-(Trifluoromethyl)benzimidazole

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CAS Numbers: 312-73-2 , 312-89-2 , [312-73-2]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.43 4.29 -6.54 1 2 0 29 186.136 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 209-211° Fluorochem
MP 209° Matrix Scientific
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4939140 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 69 0.77 Functional ≤ 10μM
Z50468-2-O Giardia Intestinalis (cluster #2 Of 4), Other Other 107 0.75 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50422 Z50422 Entamoeba Histolytica 69 0.77 Functional ≤ 10μM
Z50468 Z50468 Giardia Intestinalis 107 0.75 Functional ≤ 10μM

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

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