UCSF

ZINC00120126

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 1,3-Dimethyluric acid 1,3-Dimethyluric acid

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CAS Numbers: 1173019-16-3 , 944-73-0 , [944-73-0]

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) 0.10 -1.46 -36.58 1 7 -1 96 195.158 0 ↓
Ref Reference (pH 7) -0.39 -1.31 -8.94 0 7 0 87 194.15 0 ↓
Mid Mid (pH 6-8) -0.36 0.37 -10.78 2 7 0 93 196.166 0 ↓

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

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