UCSF

ZINC40848866

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 19 Yes

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) 4.36 3.23 -9.17 3 4 0 70 298.125 2
Hi High (pH 8-9.5) 4.36 4.23 -48.24 2 4 -1 72 297.117 2

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 372 0.47 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 371.535229 0.47 Binding ≤ 1μM
KCMA1_HUMAN Q12791 Large Conductance Calcium-activated Potassium Channel Subfamily M Alpha Member 1 Isoform B, Human 371.535229 0.47 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ca2+ activated K+ channels
cGMP effects

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