UCSF

ZINC52877342

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 29 Yes

Popular Name: 8-[[benzyl(isopropyl)amino]methyl]-3-butyl-7-ethyl-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) 2.84 11.75 -47.04 2 7 1 77 398.531 9 ↓
Hi High (pH 8-9.5) 2.84 9.67 -9.86 1 7 0 76 397.523 9 ↓

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

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