UCSF

ZINC55556972

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 29 Yes

Popular Name: 7-allyl-8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione 7-allyl-8-(4-benzylpiperazin-1-y…

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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) 2.42 11.19 -8.96 0 8 0 68 394.479 5 ↓

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