UCSF

ZINC01040180

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 27 Yes

Popular Name: 1-benzyl-3-(3-methoxy-2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione 1-benzyl-3-(3-methoxy-2-methylph…

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Download: MOL2 SDF SMILES Flexibase

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) 3.49 10.81 -14.54 1 7 0 82 362.389 4 ↓

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