UCSF

ZINC69463794

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 Yes

Popular Name: N-(3-chloro-4-cyano-phenyl)-2-[(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]acetamide N-(3-chloro-4-cyano-phenyl)-2-[(…

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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) 2.57 7.11 -46.31 2 6 1 76 350.826 4 ↓
Hi High (pH 8-9.5) 2.39 6.28 -27.55 1 6 0 82 349.818 4 ↓
Hi High (pH 8-9.5) 2.57 5.15 -14.37 1 6 0 75 349.818 4 ↓

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

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