UCSF

ZINC62959005

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Substance Information

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

Popular Name: (1S)-N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-1-(2-thienyl)ethanamine (1S)-N-[2-(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) 3.87 9.01 -36.09 2 2 1 16 293.5 5 ↓
Hi High (pH 8-9.5) 3.87 6.76 -1.46 1 2 0 15 292.492 5 ↓
Mid Mid (pH 6-8) 3.87 10.23 -119.6 3 2 2 21 294.508 5 ↓

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

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