UCSF

ZINC01385040

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 14 Yes

Popular Name: 1,2,3,4-tetrahydroacridine 1,2,3,4-tetrahydroacridine

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CAS Number: 3295-64-5

Other Names:

MFCD00972211

QA-0456

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) 3.34 7.33 -6.62 0 1 0 13 183.254 0 ↓
Lo Low (pH 4.5-6) 3.34 7.71 -23.87 1 1 1 14 184.262 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 55 KeyOrganics
PUBCHEM_PATENT_ID EP0485419A1; WO1991001974A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-1-E Acetylcholinesterase (cluster #1 Of 1), Eukaryotic Eukaryotes 136 0.69 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_MOUSE P21836 Acetylcholinesterase, Mouse 136 0.69 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Neurotransmitter Clearance In The Synaptic Cleft
Synthesis of PC

Rings

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