UCSF

ZINC65548019

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 22 Yes

Popular Name: (5S)-N-(4-cyano-1-methyl-4-piperidyl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide (5S)-N-(4-cyano-1-methyl-4-piper…

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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) 2.71 8.12 -50.55 2 4 1 57 318.466 2 ↓
Mid Mid (pH 6-8) 2.71 5.72 -12.49 1 4 0 56 317.458 2 ↓

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

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