UCSF

ZINC40872283

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 29 No

Popular Name: ethyl ethyl

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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) 3.98 11.42 -13.47 0 11 0 149 417.765 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 282 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCMA1_HUMAN Q12791 Large Conductance Calcium-activated Potassium Channel Subfamily M Alpha Member 1 Isoform B, Human 281.838293 0.32 Binding ≤ 1μM
KCMA1_HUMAN Q12791 Large Conductance Calcium-activated Potassium Channel Subfamily M Alpha Member 1 Isoform B, Human 281.838293 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ca2+ activated K+ channels
cGMP effects

Rings

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

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