UCSF

ZINC55562811

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 28 Yes

Popular Name: 8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione 8-[[4-(5-chloro-2-methyl-phenyl)…

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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) 2.55 7.77 -10.79 1 8 0 79 402.886 3 ↓
Lo Low (pH 4.5-6) 2.06 9.38 -37.02 1 8 0 83 402.886 3 ↓

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