UCSF

ZINC67434234

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 28 Yes

Popular Name: (3S)-1-[1-[(3,4-dimethylphenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-[1-[(3,4-dimethylphenyl)m…

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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) 2.85 8.01 -39.96 2 5 1 46 388.576 7 ↓
Mid Mid (pH 6-8) 2.85 8.15 -38.35 2 5 1 46 388.576 7 ↓
Lo Low (pH 4.5-6) 2.85 10.4 -108.22 3 5 2 47 389.584 7 ↓

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

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