UCSF

ZINC67562335

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 28 Yes

Popular Name: (3S)-1-[1-[(3-fluoro-4-methyl-phenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-[1-[(3-fluoro-4-methyl-ph…

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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) 2.56 7.49 -44.04 2 5 1 46 392.539 7 ↓
Mid Mid (pH 6-8) 2.56 7.64 -40.14 2 5 1 46 392.539 7 ↓
Lo Low (pH 4.5-6) 2.56 9.88 -113.01 3 5 2 47 393.547 7 ↓

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

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