UCSF

ZINC03995631

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 7 No

Popular Name: 4-Hydroxy-but-2-enoic acid 4-Hydroxy-but-2-enoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 24587-49-3 , 4013-24-5

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) -0.55 0.11 -48.1 1 3 -1 60 101.081 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q6RY99-1-E Gamma-hydroxybutyrate Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4 1.68 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q6RY99_RAT Q6RY99 Gamma-hydroxybutyrate Receptor, Rat 3.5 1.69 Binding ≤ 1μM
Q6RY99_RAT Q6RY99 Gamma-hydroxybutyrate Receptor, Rat 3.5 1.69 Binding ≤ 10μM

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