UCSF

ZINC19973825

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 22 Yes

Popular Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(4-(2-hydroxyethyl)-1-piperazinyl)-1,3-dimethyl-; BRN 1161605; LS-127017; N(sup 1)-(8-Teofillina)-N(sup 4)-beta-idrossietilpiperazina [Italian]; N(sup 1)-(Theophyllinyl-8)-N(sup 4)-beta-hydroxyethylpiperazine 1H-Purine-2,6-dione, 3,7-dihydro…

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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) -0.32 0.81 -10.73 2 9 0 99 308.342 3 ↓

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