UCSF

ZINC17858403

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 18 No

Popular Name: DNC006762 DNC006762

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1267671-95-3 , 57644-24-3

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) 3.92 5.37 -8.91 1 3 0 45 256.692 1 ↓
Hi High (pH 8-9.5) 4.37 3.39 -46.35 0 3 -1 48 255.684 1 ↓
Hi High (pH 8-9.5) 4.37 3.9 -42.68 0 3 -1 48 255.684 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GALR3-1-E Galanin Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 850 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GALR3_HUMAN O60755 Galanin Receptor 3, Human 850 0.47 Binding ≤ 1μM
GALR3_HUMAN O60755 Galanin Receptor 3, Human 850 0.47 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% )