UCSF

ZINC52869864

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 26 Yes

Popular Name: 3-butyl-8-[(4-chloro-2-methyl-anilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(4-chloro-2-methyl-an…

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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) 2.90 8.12 -10.01 2 7 0 85 375.86 6 ↓

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

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