UCSF

ZINC69848364

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 No

Popular Name: N-[2-(2-pyridyl)-1H-benzimidazol-5-yl]-2-thioxo-1H-pyridine-3-carboxamide N-[2-(2-pyridyl)-1H-benzimidazol…

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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) 1.99 6.34 -38.04 3 6 0 86 347.403 3 ↓
Mid Mid (pH 6-8) 2.71 5.97 -62.86 2 6 -1 84 346.395 3 ↓
Lo Low (pH 4.5-6) 1.99 6.78 -53.99 4 6 1 88 348.411 3 ↓

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

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