UCSF

ZINC62957289

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-ethyl-cyclohexanamine (1S,2R)-2-(8-azaspiro[4.5]decan-…

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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) 4.16 10.68 -110 3 2 2 21 280.5 4 ↓
Hi High (pH 8-9.5) 4.16 8.71 -35.87 2 2 1 20 279.492 4 ↓
Hi High (pH 8-9.5) 4.16 9.75 -32.25 2 2 1 16 279.492 4 ↓

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

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