UCSF

ZINC13829331

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 29 Yes

Popular Name: (2S)-2-amino-3-[(S)-(2-benzyloxyphenyl)-(3-fluorophenyl)methoxy]propanoic (2S)-2-amino-3-[(S)-(2-benzyloxy…

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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) 1.87 10.68 -39.17 3 5 0 86 395.43 9 ↓
Hi High (pH 8-9.5) 1.87 10.28 -46.13 2 5 -1 85 394.422 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GALR2-1-E Galanin Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 21 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GALR2_RAT O08726 Galanin Receptor Type 2, Rat 21.1 0.37 Binding ≤ 1μM
GALR2_RAT O08726 Galanin Receptor Type 2, Rat 21.1 0.37 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.