UCSF

ZINC03881191

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 11 No

Popular Name: 6-Chloro-1H-benzimidazole-2-thiol 6-Chloro-1H-benzimidazole-2-thiol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 25369-78-2 , 25369782 , [25369-78-2]

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) 2.07 4.67 -10.85 2 2 0 32 184.651 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 298-302? Alfa-Aesar
Melting_Point 298-302° Alfa-Aesar
MP 304 - 306 Enamine Building Blocks
MP 304...306 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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 5 1.06 Functional ≤ 10μM
Z50468-2-O Giardia Intestinalis (cluster #2 Of 4), Other Other 81 0.90 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50422 Z50422 Entamoeba Histolytica 5 1.06 Functional ≤ 10μM
Z50468 Z50468 Giardia Intestinalis 81 0.90 Functional ≤ 10μM

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

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