UCSF

ZINC62951966

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Substance Information

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

Popular Name: (1R,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(4-pyridyl)butan-2-amine (1R,2S)-1-(8-azaspiro[4.5]decan-…

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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) 2.26 7.97 -38.61 3 3 1 43 288.459 4 ↓
Mid Mid (pH 6-8) 2.26 6.55 -42.04 3 3 1 44 288.459 4 ↓
Mid Mid (pH 6-8) 2.26 8.28 -128.27 4 3 2 45 289.467 4 ↓

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

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