UCSF

ZINC62952062

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Substance Information

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

Popular Name: (1S,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(5-chloro-2-thienyl)propan-2-amine (1S,2S)-1-(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) 3.72 7.02 -39.25 3 2 1 31 313.918 3 ↓
Hi High (pH 8-9.5) 3.72 6.33 -1.26 2 2 0 29 312.91 3 ↓
Mid Mid (pH 6-8) 3.72 8.67 -35.43 3 2 1 30 313.918 3 ↓
Mid Mid (pH 6-8) 3.72 8.99 -121.44 4 2 2 32 314.926 3 ↓

Activity (Go SEA)

Rings

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

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