UCSF

ZINC37824021

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Popular Name: (2R)-N-methyl-N-[2-[methyl-(1-methyl-4-piperidyl)amino]ethyl]piperidine-2-carboxamide (2R)-N-methyl-N-[2-[methyl-(1-me…

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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) 0.79 5.39 -80.13 3 5 2 45 298.475 5 ↓
Hi High (pH 8-9.5) 0.79 4.2 -40.36 2 5 1 40 297.467 5 ↓
Lo Low (pH 4.5-6) 0.79 7.7 -164.12 4 5 3 46 299.483 5 ↓
Lo Low (pH 4.5-6) 0.79 5.31 -88.46 3 5 2 45 298.475 5 ↓

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Rings

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

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