UCSF

ZINC04416885

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 9 No

Popular Name: Monomethyl fumarate Monomethyl fumarate

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CAS Numbers: 2756-87-8 , 3052-50-4 , [2756-87-8]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -0.06 2.45 -43.04 0 4 -1 66 129.091 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 99% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HCAR2-4-E HM74 Nicotinic Acid GPCR (cluster #4 Of 4), Eukaryotic Eukaryotes 180 1.05 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 180 1.05 Binding ≤ 1μM
HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 180 1.05 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling events
Hydroxycarboxylic acid-binding receptors

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