UCSF

ZINC62955028

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-methylsulfanylphenyl)ethanone 2-(8-azaspiro[4.5]decan-8-yl)-1-…

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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) 3.81 11.5 -41.93 1 2 1 22 304.479 4 ↓
Mid Mid (pH 6-8) 3.81 9.31 -6.59 0 2 0 20 303.471 4 ↓

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

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