UCSF

ZINC69236209

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 17 Yes

Popular Name: (1R,5S)-9-[(1S)-1,4-dimethylpentyl]-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1S)-1,4-dimethylpent…

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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) 2.74 6.81 -104.35 4 2 2 32 240.435 4 ↓
Mid Mid (pH 6-8) 2.74 4.96 -42.71 3 2 1 31 239.427 4 ↓
Mid Mid (pH 6-8) 2.74 6.49 -29.29 3 2 1 30 239.427 4 ↓

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Rings

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

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