UCSF

ZINC68954771

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 15 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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) 1.93 6.13 -32.54 2 2 1 20 209.357 3 ↓
Mid Mid (pH 6-8) 1.93 5.05 -27.63 2 2 1 16 209.357 3 ↓
Mid Mid (pH 6-8) 1.93 6.34 -92.99 3 2 2 21 210.365 3 ↓

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Rings

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

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