UCSF

ZINC67447169

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 23 Yes

Popular Name: (1S)-N-(9-azaspiro[5.5]undecan-3-yl)-N',N'-dimethyl-1-phenyl-ethane-1,2-diamine (1S)-N-(9-azaspiro[5.5]undecan-3…

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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) 2.55 8.72 -83.03 4 3 2 33 317.521 5 ↓
Mid Mid (pH 6-8) 2.55 9.66 -184.66 5 3 3 38 318.529 5 ↓
Mid Mid (pH 6-8) 2.55 7.74 -85.99 4 3 2 36 317.521 5 ↓

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Rings

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

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