UCSF

ZINC67724977

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 22 Yes

Popular Name: 2,5-dioxo-6-[2-(1H-triazol-5-ylsulfanyl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile 2,5-dioxo-6-[2-(1H-triazol-5-yls…

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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) -0.34 3.04 -25.61 2 8 0 120 314.33 4 ↓
Hi High (pH 8-9.5) 0.56 1.06 -91.89 0 8 -2 122 312.314 4 ↓
Mid Mid (pH 6-8) 0.56 1.07 -51.46 1 8 -1 123 313.322 4 ↓

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

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