UCSF

ZINC01302121

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 19 Yes

Popular Name: 1H-benzimidazol-2-yl-(3,4-dichlorobenzyl)amine 1H-benzimidazol-2-yl-(3,4-dichlo…

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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) 4.29 -2.17 -9.97 2 3 0 40 292.169 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNN3-1-E Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 200 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNN3_RAT P70605 Small Conductance Calcium-activated Potassium Channel Protein 3, Rat 200 0.49 Binding ≤ 1μM
KCNN3_RAT P70605 Small Conductance Calcium-activated Potassium Channel Protein 3, Rat 200 0.49 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ca2+ activated K+ channels

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