UCSF

ZINC12539107

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 31 Yes

Popular Name: 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-purine-2, 8-[[(2S,6R)-2,6-dimethylmorpholi…

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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) 2.96 8.95 -9.28 0 8 0 74 425.533 4 ↓
Mid Mid (pH 6-8) 2.96 11.9 -134.66 2 8 2 77 427.549 4 ↓
Mid Mid (pH 6-8) 2.96 11.36 -56.84 1 8 1 76 426.541 4 ↓

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