UCSF

ZINC67446696

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 25 Yes

Popular Name: 6-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[2-(1-ethyl-3,5-dimethyl-pyraz…

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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) 0.46 7.1 -25.43 1 7 0 96 337.383 4 ↓
Mid Mid (pH 6-8) 1.37 5.12 -50.89 0 7 -1 100 336.375 4 ↓
Lo Low (pH 4.5-6) 0.46 7.23 -55.48 2 7 1 98 338.391 4 ↓

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

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