UCSF

ZINC04353077

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 11 Yes

Popular Name: 8-AZAGUANINE 8-AZAGUANINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 134-58-7 , [134-58-7]

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) -0.61 -3.1 -41.91 3 7 -1 116 151.109 0 ↓
Mid Mid (pH 6-8) -0.61 -3.11 -108.43 2 7 -2 115 150.101 0 ↓
Mid Mid (pH 6-8) -0.61 -3.21 -42.03 3 7 -1 116 151.109 0 ↓
Mid Mid (pH 6-8) -0.61 -3.19 -37.21 3 7 -1 116 151.109 0 ↓
Mid Mid (pH 6-8) -0.61 -2.11 -47.35 3 7 -1 116 151.109 0 ↓
Mid Mid (pH 6-8) -1.07 -1.07 -12.18 4 7 0 113 152.117 0 ↓
Mid Mid (pH 6-8) -1.07 -1.69 -23.68 4 7 0 113 152.117 0 ↓
Mid Mid (pH 6-8) -1.07 -1.14 -14.88 4 7 0 113 152.117 0 ↓
Lo Low (pH 4.5-6) -1.07 -1.65 -17.86 4 7 0 113 152.117 0 ↓
Lo Low (pH 4.5-6) -1.07 -1.05 -13.04 4 7 0 113 152.117 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.66e+00 g/l DrugBank-experimental
ALOGPS_SOLUBILITY 5.67e+00 g/l DrugBank-experimental
Purity 95% Fluorochem
biological_use Active against fungi ZereneX Building Blocks
biological_source Isol. from Streptomyces albus and Streptomyces morookaensis ZereneX Building Blocks
Target Others Selleck Chemicals
UniProt Database Links PBUG_BACSU ChEBI
mechanism Purine antagonist ZereneX Building Blocks
PUBCHEM_PATENT_ID US3935184 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-15-O Plasmodium Falciparum (cluster #15 Of 22), Other Other 6600 0.66 Functional ≤ 10μM
Z80945-3-O HEp-2 (Laryngeal Carcinoma Cells) (cluster #3 Of 4), Other Other 2000 0.73 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80945 Z80945 HEp-2 (Laryngeal Carcinoma Cells) 2000 0.73 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 6600 0.66 Functional ≤ 10μM

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

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