UCSF

ZINC67946864

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 22 Yes

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

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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) 1.54 7.21 -21.65 1 5 0 79 311.366 3 ↓
Mid Mid (pH 6-8) 2.45 5.23 -47.7 0 5 -1 82 310.358 3 ↓

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

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