UCSF

ZINC12531761

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 27 Yes

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

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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) 0.45 6.27 -7.03 0 9 0 91 377.445 4 ↓
Mid Mid (pH 6-8) 0.45 8.7 -113.01 2 9 2 94 379.461 4 ↓
Mid Mid (pH 6-8) 0.45 9.31 -64.76 1 9 1 93 378.453 4 ↓

Activity (Go SEA)

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