UCSF

ZINC43207266

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 42 No

Popular Name: JNJ-31020028 JNJ-31020028

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) 5.28 14.19 -19.77 1 7 0 69 565.693 9 ↓
Mid Mid (pH 6-8) 5.28 16.16 -39.17 2 7 1 70 566.701 9 ↓
Lo Low (pH 4.5-6) 5.28 16.76 -74.95 3 7 2 71 567.709 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY2R-1-E Neuropeptide Y Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.27 Binding ≤ 10μM
NPY2R-1-E Neuropeptide Y Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NPY2R_HUMAN P49146 Neuropeptide Y Receptor Type 2, Human 6 0.27 Binding ≤ 1μM
NPY2R_HUMAN P49146 Neuropeptide Y Receptor Type 2, Human 6 0.27 Binding ≤ 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.