UCSF

ZINC02539418

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 42 No

Popular Name: bis-ANS bis-ANS

Find On: PubMed — Wikipedia — Google

CAS Numbers: 65664-81-5 , [65664-81-5]

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) 3.83 10.64 -88.68 2 8 -2 138 594.67 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CLAT-2-E Choline Acetylase (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CLAT_HUMAN P28329 Choline Acetylase, Human 3000 0.18 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine Neurotransmitter Release Cycle
Synthesis of PC

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

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