UCSF

ZINC00058129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

Popular Name: 2-Acetamido-6-hydroxypurine 2-Acetamido-6-hydroxypurine

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 19962-37-9 , [19962-37-9]

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) -0.31 1.01 -59 2 7 -1 107 192.158 1 ↓
Mid Mid (pH 6-8) -0.77 2.36 -21.9 3 7 0 104 193.166 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 260 - 262 Enamine Building Blocks
MP 260...262 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Mp [°C] >260 Acros Organics
PUBCHEM_PATENT_ID EP0433897A2; EP0433897B1; US5064961; US5198583; US5256806; US5306837 IBM Patent Data
PUBCHEM_PATENT_ID EP0521463A2; EP0521463A3 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GUAD-1-E Guanine Deaminase (cluster #1 Of 1), Eukaryotic Eukaryotes 3440 0.55 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GUAD_HUMAN Q9Y2T3 Guanine Deaminase, Human 3440 0.55 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine catabolism

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

No pre-computed analogs available. Try a structural similarity search.