UCSF

ZINC49573739

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 22 No

Popular Name: 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyridine-3-carbonitrile 5-acetyl-4-{3-nitrophenyl}-6-met…

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Other Names:

MFCD01218415

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) 1.88 5.54 -23.43 0 7 0 116 299.286 3 ↓

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

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