UCSF

ZINC62957251

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Substance Information

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

Popular Name: (1S,2S,4S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N,4-dimethyl-cyclohexanamine (1S,2S,4S)-2-(8-azaspiro[4.5]dec…

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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) 3.79 10.19 -111.61 3 2 2 21 280.5 3 ↓
Hi High (pH 8-9.5) 3.79 8.32 -38.13 2 2 1 20 279.492 3 ↓

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Rings

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

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