UCSF

ZINC00795230

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 20 No

Popular Name: morpholine-4-carboxylic-acid-(4-piperidino-1,2,5-thiadiazol-3-yl)-ester morpholine-4-carboxylic-acid-(4-…

Find On: PubMed — Wikipedia — Google

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) 1.59 2.92 -8.9 0 7 0 68 298.368 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LICH-1-E Lysosomal Acid Lipase/cholesteryl Ester Hydrolase (cluster #1 Of 2), Eukaryotic Eukaryotes 68 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LICH_HUMAN P38571 Lysosomal Acid Lipase/cholesteryl Ester Hydrolase, Human 68 0.50 Binding ≤ 1μM
LICH_HUMAN P38571 Lysosomal Acid Lipase/cholesteryl Ester Hydrolase, Human 68 0.50 Binding ≤ 10μM

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

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