UCSF

ZINC13514984

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 12 Yes

Popular Name: 8-Aminoguanine 8-Aminoguanine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 28128-41-8 , [28128-41-8]

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) -1.12 0.9 -17.55 6 7 0 126 166.144 0 ↓
Ref Reference (pH 7) -1.12 0.81 -14.79 6 7 0 126 166.144 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PNPH-1-E Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic Eukaryotes 100 0.82 Binding ≤ 10μM
PNPH-1-E Purine Nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic Eukaryotes 1550 0.68 Functional ≤ 10μM
Z80285-3-O MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #3 Of 4), Other Other 2350 0.66 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PNPH_BOVIN P55859 Purine Nucleoside Phosphorylase, Bovin 680.6 0.72 Binding ≤ 1μM
PNPH_HUMAN P00491 Purine Nucleoside Phosphorylase, Human 600 0.73 Binding ≤ 1μM
PNPH_RAT P85973 Purine-nucleoside Phosphorylase, Rat 100 0.82 Binding ≤ 1μM
PNPH_BOVIN P55859 Purine Nucleoside Phosphorylase, Bovin 2299 0.66 Binding ≤ 10μM
PNPH_HUMAN P00491 Purine Nucleoside Phosphorylase, Human 600 0.73 Binding ≤ 10μM
PNPH_RAT P85973 Purine-nucleoside Phosphorylase, Rat 100 0.82 Binding ≤ 10μM
Z80285 Z80285 MOLT-4 (Acute T-lymphoblastic Leukemia Cells) 1600 0.68 Functional ≤ 10μM
PNPH_HUMAN P00491 Purine Nucleoside Phosphorylase, Human 1550 0.68 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine catabolism
Purine salvage

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