UCSF

ZINC13527382

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 8-Oxoguanine 8-Oxoguanine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1246818-54-1 , 5614-64-2 , [5614-64-2]

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) -0.83 -3.4 -55.25 4 7 -1 124 166.12 0 ↓
Mid Mid (pH 6-8) -1.66 -6.13 -90.31 1 7 -2 122 163.096 0 ↓
Mid Mid (pH 6-8) -1.28 -1.53 -14.08 5 7 0 120 167.128 0 ↓
Lo Low (pH 4.5-6) -2.11 -4.24 -33.02 2 7 -1 118 164.104 0 ↓
Lo Low (pH 4.5-6) -2.11 -4.23 -31.85 2 7 -1 118 164.104 0 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links AGOG_AERPE; AGOG_METKA; AGOG_METMP; AGOG_NANEQ; AGOG_PYRAB; AGOG_PYRAE; AGOG_PYRFU; AGOG_PYRHO; AGOG_THEKO; FPG_ARATH; NEIL1_HUMAN; NEIL1_MOUSE; NEIL2_BOVIN; NEIL2_HUMAN; NEIL2_MOUSE; NEIL2_PONAB; NUDT1_ARATH; OGG1_ARATH; OGG1_DROME; OGG1_HUMAN; OGG1_MOUS ChEBI
PUBCHEM_PATENT_ID EP0719265A1; EP0719265B1; US5721341 IBM Patent Data
Patent Database Links EP1702620 ChEBI
Reactome Database Links REACT_1737; REACT_818 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Cleavage of the damaged purine

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

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