UCSF

ZINC67947519

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Substance Information

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

Popular Name: 6-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[2-(1H-benzimidazol-2-yl)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) 1.77 4.23 -50.33 1 7 -1 110 330.327 3 ↓
Mid Mid (pH 6-8) 0.86 6.21 -24.87 2 7 0 107 331.335 3 ↓
Lo Low (pH 4.5-6) 0.86 6.68 -60.22 3 7 1 109 332.343 3 ↓

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

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