UCSF

ZINC66865303

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 26 Yes

Popular Name: 3-butyl-7-methyl-8-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]purine-2,6-dione 3-butyl-7-methyl-8-[[methyl-[(5-…

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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) 1.27 8.66 -55.19 2 8 1 90 360.438 7 ↓
Hi High (pH 8-9.5) 1.27 6.34 -12.32 1 8 0 89 359.43 7 ↓

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

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