UCSF

ZINC62951954

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-(1-methylpyrazol-4-yl)ethanamine (2S)-2-(8-azaspiro[4.5]decan-8-y…

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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) 0.99 3.98 -47.25 3 4 1 49 263.409 3 ↓
Hi High (pH 8-9.5) 0.99 3.93 -5.44 2 4 0 47 262.401 3 ↓
Mid Mid (pH 6-8) 0.99 6.32 -32.74 3 4 1 48 263.409 3 ↓
Mid Mid (pH 6-8) 0.99 6.04 -122.65 4 4 2 50 264.417 3 ↓

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

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