UCSF

ZINC69941142

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 Yes

Popular Name: (2S,4R)-4-ethyl-2-(1-propylimidazol-2-yl)piperidine (2S,4R)-4-ethyl-2-(1-propylimida…

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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) 2.55 7.22 -35.98 2 3 1 34 222.356 4 ↓
Hi High (pH 8-9.5) 2.55 6.44 -25.46 2 3 1 31 222.356 4 ↓
Hi High (pH 8-9.5) 2.55 5.93 -6.28 1 3 0 30 221.348 4 ↓
Mid Mid (pH 6-8) 2.55 7.76 -102.33 3 3 2 36 223.364 4 ↓

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Rings

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

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