UCSF

ZINC62951946

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Substance Information

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

Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-(2-methoxyphenyl)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) 2.62 8.04 -120.69 4 3 2 41 290.451 4 ↓
Mid Mid (pH 6-8) 2.62 7.58 -27.82 3 3 1 40 289.443 4 ↓
Mid Mid (pH 6-8) 2.62 6.57 -39.59 3 3 1 40 289.443 4 ↓

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

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