UCSF

ZINC62951959

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine (1S,2R)-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) 1.39 4.48 -42.56 3 4 1 49 277.436 3 ↓
Hi High (pH 8-9.5) 1.39 4.17 -3.65 2 4 0 47 276.428 3 ↓
Mid Mid (pH 6-8) 1.39 6.58 -35.91 3 4 1 48 277.436 3 ↓
Mid Mid (pH 6-8) 1.39 6.8 -121.28 4 4 2 50 278.444 3 ↓

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Rings

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

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