UCSF

ZINC01566370

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 8 No

Popular Name: Choline Choline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 62-49-7 , 67-48-1 , [62-49-7] , [67-48-1]

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) -4.00 0.93 -30.86 1 2 1 20 118.2 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC5A7-1-E High Affinity Choline Transporter 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 2203 0.99 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC5A7_MOUSE Q8BGY9 Choline Transporter, Mouse 2202.92646 0.99 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine Neurotransmitter Release Cycle
Transport of glucose and other sugars, bile salts and organic acids, metal ions

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

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