UCSF

ZINC53928066

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 Yes

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

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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) 2.63 9.22 -35.84 1 3 1 25 293.475 3 ↓
Mid Mid (pH 6-8) 2.63 11.26 -107.71 2 3 2 26 294.483 3 ↓
Mid Mid (pH 6-8) 2.63 9.06 -38.47 1 3 1 25 293.475 3 ↓

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Rings

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

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