UCSF

ZINC48938134

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 18 Yes

Popular Name: N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-triazole-4-carboxamide N-(1,4-dioxaspiro[4.5]decan-8-yl…

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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) 0.02 0.22 -7.8 2 7 0 89 252.274 2 ↓
Mid Mid (pH 6-8) 0.02 0.2 -37.4 1 7 -1 87 251.266 2 ↓

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Rings

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

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