UCSF

ZINC62153002

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 18 Yes

Popular Name: [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine [4-(1,4-dioxa-8-azaspiro[4.5]dec…

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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) 1.50 3.79 -44.72 3 4 1 49 249.334 2 ↓
Hi High (pH 8-9.5) 1.50 3.39 -4.83 2 4 0 48 248.326 2 ↓

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

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