UCSF

ZINC13687569

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 35 Yes

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) 2.27 7.4 -58.65 6 7 1 113 475.613 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GHSR-1-E Ghrelin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
GHSR-1-E Ghrelin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.36 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 1 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GHSR_HUMAN Q92847 Ghrelin Receptor, Human 0.6 0.37 Binding ≤ 1μM
GHSR_HUMAN Q92847 Ghrelin Receptor, Human 0.6 0.37 Binding ≤ 10μM
GHSR_HUMAN Q92847 Ghrelin Receptor, Human 0.6 0.37 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 0.6 0.37 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Peptide ligand-binding receptors

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