UCSF

ZINC34215645

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 30 Yes

Popular Name: DNC014881 DNC014881

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) 5.59 11.37 -41.77 1 5 -1 87 415.55 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLRA1-1-E Glycine Receptor Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1200 0.28 Functional ≤ 10μM
GLRA3-1-E Glycine Receptor Subunit Alpha-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLRA1_HUMAN P23415 Glycine Receptor Subunit Alpha-1, Human 1200 0.28 Functional ≤ 10μM
GLRA3_HUMAN O75311 Glycine Receptor Subunit Alpha-3, Human 7000 0.24 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ligand-gated ion channel transport

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

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