UCSF

ZINC62952603

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Substance Information

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

Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-(5-ethyl-2-furyl)ethanamine (2S)-2-(8-azaspiro[4.5]decan-8-y…

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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) 2.67 8.23 -127.11 4 3 2 45 278.44 4 ↓
Mid Mid (pH 6-8) 2.67 8.09 -29.24 3 3 1 44 277.432 4 ↓
Mid Mid (pH 6-8) 2.67 6.44 -44.18 3 3 1 44 277.432 4 ↓

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

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