UCSF

ZINC70115338

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 19 Yes

Popular Name: (1R,5S)-8-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(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) 3.42 9.16 -100.22 3 2 2 21 266.473 3 ↓
Mid Mid (pH 6-8) 3.42 7.99 -28.03 2 2 1 16 265.465 3 ↓
Mid Mid (pH 6-8) 3.42 7.46 -36.19 2 2 1 20 265.465 3 ↓

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

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