UCSF

ZINC67934103

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 Yes

Popular Name: 6-[4-(azepan-1-yl)butyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[4-(azepan-1-yl)butyl]-2,5-dio…

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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) 1.45 9.04 -60.96 2 6 1 83 341.435 5 ↓
Mid Mid (pH 6-8) 2.35 7.05 -74.79 1 6 0 86 340.427 5 ↓

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

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