UCSF

ZINC61585922

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2011 20 No

Popular Name: 1-(3-methyl-4-nitro-benzoyl)piperidine-4-carbonitrile 1-(3-methyl-4-nitro-benzoyl)pipe…

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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) 1.80 8 -15.69 0 6 0 90 273.292 2 ↓

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