UCSF

ZINC10186822

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2007 32 Yes

Popular Name: N-(4-benzothiazol-2-ylphenyl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide N-(4-benzothiazol-2-ylphenyl)-1-…

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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) 5.13 8.64 -23.14 1 6 0 79 483.64 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-5-E Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic Eukaryotes 15 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 15 0.34 Binding ≤ 1μM
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 15 0.34 Binding ≤ 10μM

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

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