UCSF

ZINC12532305

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 30 Yes

Popular Name: 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-dimethyl-7-(o-tolylmethyl)purine-2,6-dione 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) 2.54 9.19 -11.48 0 8 0 74 411.506 4 ↓
Mid Mid (pH 6-8) 2.54 11.47 -122.98 2 8 2 77 413.522 4 ↓
Mid Mid (pH 6-8) 2.54 11.05 -48.16 1 8 1 76 412.514 4 ↓

Activity (Go SEA)

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