UCSF

ZINC53927453

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 20 Yes

Popular Name: (2S,4R)-2-[[methyl(4-pyridylmethyl)amino]methyl]-4-propyl-cyclohexanone (2S,4R)-2-[[methyl(4-pyridylmeth…

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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 8.05 -7.08 0 3 0 33 274.408 6 ↓
Mid Mid (pH 6-8) 2.66 9.94 -40.91 1 3 1 34 275.416 6 ↓

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

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