UCSF

ZINC70104597

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 17 Yes

Popular Name: (1R,5S)-8-[(1S)-2-cyclopropyl-1-methyl-ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(1S)-2-cyclopropyl-1-…

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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 8.86 -95.2 3 2 2 21 238.419 5 ↓
Hi High (pH 8-9.5) 2.74 8.95 -25.74 2 2 1 16 237.411 5 ↓
Mid Mid (pH 6-8) 2.74 6.77 -32.14 2 2 1 20 237.411 5 ↓

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

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