UCSF

ZINC22220157

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 Yes

Popular Name: (2R)-2-cyclohexyl-2-[(2S)-2-methyl-1-piperidyl]ethanamine (2R)-2-cyclohexyl-2-[(2S)-2-meth…

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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) 2.66 7.02 -116.2 4 2 2 32 226.408 3 ↓
Mid Mid (pH 6-8) 2.66 5.26 -43.45 3 2 1 31 225.4 3 ↓

Activity (Go SEA)

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