UCSF

ZINC13553764

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 17 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) 3.10 7.31 -33.26 2 3 1 43 228.319 2
Mid Mid (pH 6-8) 3.10 6.94 -6.45 1 3 0 42 227.311 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY5R-2-E Neuropeptide Y Receptor Type 5 (cluster #2 Of 2), Eukaryotic Eukaryotes 231 0.55 Binding ≤ 10μM
Z80956-1-O HMCB Cell Line (cluster #1 Of 1), Other Other 36 0.61 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 231 0.55 Binding ≤ 1μM
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 231 0.55 Binding ≤ 10μM
Z80956 Z80956 HMCB Cell Line 36 0.61 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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

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