UCSF

ZINC70115337

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 21 Yes

Popular Name: (1R,5S)-9-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-N-propyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1R,2S,4S)-2,4-dimeth…

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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) 4.43 10.35 -101.95 3 2 2 21 294.527 4 ↓
Hi High (pH 8-9.5) 4.43 9.2 -28.01 2 2 1 16 293.519 4 ↓
Mid Mid (pH 6-8) 4.43 9.63 -37.48 2 2 1 20 293.519 4 ↓

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

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