UCSF

ZINC69941198

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 14 Yes

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

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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) 1.68 5.63 -36.25 2 3 1 34 194.302 2 ↓
Hi High (pH 8-9.5) 1.68 6.03 -26.17 2 3 1 31 194.302 2 ↓
Hi High (pH 8-9.5) 1.68 4.34 -7.06 1 3 0 30 193.294 2 ↓
Mid Mid (pH 6-8) 1.68 6.24 -101.08 3 3 2 36 195.31 2 ↓

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Rings

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

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