UCSF

ZINC38153850

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 27 No

Popular Name: 1-pentadecyl-4-(4-piperidyl)piperidine 1-pentadecyl-4-(4-piperidyl)pipe…

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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) 8.28 16.71 -84.29 3 2 2 21 380.705 15 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GNAO-1-E Guanine Nucleotide-binding Protein G(o), Alpha Subunit 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 6200 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GNAO_HUMAN P09471 Guanine Nucleotide-binding Protein G(o), Alpha Subunit 1, Human 6200 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ca2+ pathway
G-protein activation
PLC beta mediated events

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