UCSF

ZINC00501435

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 No

Popular Name: 1,1'-Dithiobis(piperidine); 1,1'-Dithiodipiperidine; BRN 0115167; Bispiperidino disulfide; LS-115303; N,N'-Dipiperidino-disulfid [German]; N,N'-Dithiobis(piperidine); Piperidine, 1,1'-dithiodi-; Piperidine, 1,1-dithiobis-; Piperidino disulfide 1,1'-Dithiobis(piperidine); 1,1'…

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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) 3.16 -3.52 -2.43 0 2 0 6 232.418 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-7-E Monoglyceride Lipase (cluster #7 Of 7), Eukaryotic Eukaryotes 9550 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MGLL_HUMAN Q99685 Monoglyceride Lipase, Human 9549.92586 0.50 Binding ≤ 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% )