UCSF

ZINC53925825

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 19 Yes

Popular Name: (2S,4R)-4-ethyl-2-[[methyl-(1-methyl-4-piperidyl)amino]methyl]cyclohexanone (2S,4R)-4-ethyl-2-[[methyl-(1-me…

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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) 2.41 8.38 -32.62 1 3 1 25 267.437 4 ↓
Mid Mid (pH 6-8) 2.41 10.23 -93.73 2 3 2 26 268.445 4 ↓
Mid Mid (pH 6-8) 2.41 7.82 -33.63 1 3 1 25 267.437 4 ↓

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Rings

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

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