UCSF

ZINC67741499

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 Yes

Popular Name: 10-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,7-dimethyl-3,7,10-triazaspiro[5.5]undecane 10-[[2-(methoxymethyl)pyrimidin-…

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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) 0.07 3.08 -43.11 1 6 1 46 320.461 4 ↓
Mid Mid (pH 6-8) 0.07 4.98 -111.26 2 6 2 47 321.469 4 ↓
Mid Mid (pH 6-8) 0.07 5.32 -105.75 2 6 2 47 321.469 4 ↓
Mid Mid (pH 6-8) 0.07 2.92 -39.82 1 6 1 46 320.461 4 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.