UCSF

ZINC00073661

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 26 Yes

Popular Name: Imidocarb Imidocarb

Find On: PubMed — Wikipedia — Google

CAS Numbers: 27885-92-3 , 5318-76-3 , 55750-06-6 , [55750-06-6]

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) 0.83 4.09 -69.9 6 7 2 93 350.426 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 99% APIChem
Indications antiprotozoal KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-5-E Acetylcholinesterase (cluster #5 Of 12), Eukaryotic Eukaryotes 590 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_HUMAN P22303 Acetylcholinesterase, Human 590 0.34 Binding ≤ 1μM
ACES_TORCA P04058 Acetylcholinesterase, Torca 590 0.34 Binding ≤ 1μM
ACES_TORCA P04058 Acetylcholinesterase, Torca 590 0.34 Binding ≤ 10μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 590 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Neurotransmitter Clearance In The Synaptic Cleft
Synthesis of PC
Synthesis, secretion, and deacylation of Ghrelin

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

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