UCSF

ZINC62570050

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 15 Yes

Popular Name: (1R,5S)-3-(4-methyl-1-piperidyl)-8-azabicyclo[3.2.1]octane (1R,5S)-3-(4-methyl-1-piperidyl)…

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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) 2.04 6.91 -96.53 3 2 2 21 210.365 1 ↓
Mid Mid (pH 6-8) 2.04 5.64 -28.44 2 2 1 16 209.357 1 ↓
Mid Mid (pH 6-8) 2.04 6.75 -33.11 2 2 1 20 209.357 1 ↓

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Rings

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

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