UCSF

ZINC01594973

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 18 No

Popular Name: 4,4'-(Dithiodicarbonothioyl)bismorpholine; 4,4'-(Dithiodicarbonothioyl)dimorpholine; 4-Morpholinethiocarbonyl disulfide; AI3-01690; BRN 0276307; Bis(4-morpholinothiocarbonyl) disulfide; Bis(morpholinothiocarbonyl) disulfide; Bis(morpholinothiocarbonyl)dis 4,4'-(Dithiodicarbonothioyl)bism…

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Other Names:

MFCD00072237

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) 1.90 -5.1 -13.05 0 4 0 24 324.518 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-6-E Monoglyceride Lipase (cluster #6 Of 7), Eukaryotic Eukaryotes 219 0.52 Binding ≤ 10μM
Z50607-5-O Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other Other 1 0.70 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MGLL_HUMAN Q99685 Monoglyceride Lipase, Human 218.776162 0.52 Binding ≤ 1μM
MGLL_HUMAN Q99685 Monoglyceride Lipase, Human 218.776162 0.52 Binding ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 0.52 0.72 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acyl chain remodeling of DAG and TAG
Arachidonate production from DAG
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis

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

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