UCSF

ZINC10503633

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 34 Yes

Popular Name: 3-butyl-7-isobutyl-8-[2-(4-thiazol-2-ylpiperazin-1-yl)carbonylethyl]purine-2,6-dione 3-butyl-7-isobutyl-8-[2-(4-thiaz…

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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) 2.16 -4.36 -15.1 1 10 0 109 487.63 9 ↓
Mid Mid (pH 6-8) 2.16 -4.15 -50.79 2 10 1 110 488.638 9 ↓

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

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