UCSF

ZINC41230067

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 16 No

Popular Name: 1-[2-(m-tolyl)ethyl]piperidin-4-one 1-[2-(m-tolyl)ethyl]piperidin-4-one

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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) 2.14 8.9 -47.08 1 2 1 22 218.32 3 ↓
Mid Mid (pH 6-8) 2.14 6.7 -5.53 0 2 0 20 217.312 3 ↓

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Rings

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

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