UCSF

ZINC62951963

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(1-methylpyrazol-4-yl)butan-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) 1.93 5.35 -42.18 3 4 1 49 291.463 4 ↓
Hi High (pH 8-9.5) 1.93 5.04 -3.51 2 4 0 47 290.455 4 ↓
Mid Mid (pH 6-8) 1.93 7.67 -121.78 4 4 2 50 292.471 4 ↓
Mid Mid (pH 6-8) 1.93 7.25 -33.11 3 4 1 48 291.463 4 ↓

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Rings

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

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