UCSF

ZINC62952653

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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-(2,5-dimethyl-3-thienyl)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) 2.65 9.16 -125.02 4 2 2 32 294.508 3 ↓
Hi High (pH 8-9.5) 2.65 6.88 -2.38 2 2 0 29 292.492 3 ↓
Mid Mid (pH 6-8) 2.65 8.7 -29.75 3 2 1 30 293.5 3 ↓
Mid Mid (pH 6-8) 2.65 7.64 -41.64 3 2 1 31 293.5 3 ↓

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Rings

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

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