UCSF

ZINC69897316

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 10 Yes

Popular Name: (1S,3S,5S)-5-methyl-6-oxaspiro[2.5]octan-1-amine (1S,3S,5S)-5-methyl-6-oxaspiro[2…

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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) 0.65 1.95 -43.32 3 2 1 37 142.222 0 ↓
Hi High (pH 8-9.5) 0.65 1.64 -2.08 2 2 0 35 141.214 0 ↓

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Rings

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

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