UCSF

ZINC03875977

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 20 No

Popular Name: 2-Fluoroadenosine 2-Fluoroadenosine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 146-78-1 , [146-78-1]

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) -0.37 -4.96 -15.08 5 9 0 140 285.235 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 200 TCI
Melting_Point 231? dec. Alfa-Aesar
Melting_Point 231° dec. Alfa-Aesar
Purity 95% Fluorochem
Purity 96% Fluorochem
PUBCHEM_PATENT_ID EP0010668A1; EP0355135A1; EP0355135B1; EP0464137A1; EP0614462A1; EP0614462B1; EP0670845A1; EP0670845B1; EP0763049A1; EP0817790A1; EP0831873A1; US4309419; US4381344; US4481197; US4997926; US5602246; US5668270; WO1990011081A1; WO1993016706A1; WO1994012514A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0977767A1; US6127533; WO1998035978A1; WO2000008042A1; WO2000008214A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA3R-2-E Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic Eukaryotes 99 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 99 0.49 Binding ≤ 1μM
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 2660 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adenosine P1 receptors
G alpha (i) signalling events

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