UCSF

ZINC42132974

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 27 Yes

Popular Name: 3-butyl-8-[[(3,5-dimethylisoxazol-4-yl)methyl-methyl-amino]methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[[(3,5-dimethylisoxazo…

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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) 0.65 7.7 -66.87 2 9 1 103 375.453 7 ↓
Mid Mid (pH 6-8) 0.65 5.39 -16.75 1 9 0 102 374.445 7 ↓

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

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