UCSF

ZINC57944206

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 32 Yes

Popular Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl (3-butyl-7-methyl-2,6-dioxo-puri…

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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) 2.55 8.43 -39.54 4 10 1 139 457.536 7 ↓
Mid Mid (pH 6-8) 2.55 8.03 -15.16 3 10 0 138 456.528 7 ↓

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

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