UCSF

ZINC52877343

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 28 Yes

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

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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) 2.47 10.78 -51.44 2 7 1 77 384.504 8 ↓
Hi High (pH 8-9.5) 2.47 8.41 -9.8 1 7 0 76 383.496 8 ↓

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

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