UCSF

ZINC62952287

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 Yes

Popular Name: [(1S,2R,4S)-2-(8-azaspiro[4.5]decan-8-yl)-4-ethyl-cyclohexyl]methanamine [(1S,2R,4S)-2-(8-azaspiro[4.5]de…

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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) 3.50 8.69 -116.27 4 2 2 32 280.5 3 ↓
Hi High (pH 8-9.5) 3.50 8.3 -31.87 3 2 1 30 279.492 3 ↓
Hi High (pH 8-9.5) 3.50 7.02 -43.36 3 2 1 31 279.492 3 ↓

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

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