UCSF

ZINC06119090

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 16 Yes

Popular Name: Zebularine Zebularine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3690-10-6 , [3690-10-6]

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) -1.75 -5.94 -20.58 3 7 0 105 228.204 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.82e+01 g/l DrugBank-experimental
Patent Database Links WO2007100304 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA-1-E Adenosine Deaminase (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.53 Binding ≤ 10μM
CDD-1-E Cytidine Deaminase (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.50 Binding ≤ 10μM
CDD-1-E Cytidine Deaminase (cluster #1 Of 1), Eukaryotic Eukaryotes 2300 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADA_MOUSE P03958 Adenosine Deaminase, Mouse 1000 0.53 Binding ≤ 1μM
ADA_MOUSE P03958 Adenosine Deaminase, Mouse 1000 0.53 Binding ≤ 10μM
CDD_MOUSE P56389 Cytidine Deaminase, Mouse 2000 0.50 Binding ≤ 10μM
CDD_HUMAN P32320 Cytidine Deaminase, Human 2000 0.50 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine salvage
Pyrimidine salvage reactions

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