UCSF

ZINC67725529

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 27 Yes

Popular Name: 2,5-dioxo-6-[[1-(1-piperidyl)cyclohexyl]methyl]-1H-1,6-naphthyridine-3-carbonitrile 2,5-dioxo-6-[[1-(1-piperidyl)cyc…

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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) 3.28 6.75 -67.43 1 6 0 86 366.465 3 ↓
Mid Mid (pH 6-8) 2.38 8.75 -60.4 2 6 1 83 367.473 3 ↓

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

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