UCSF

ZINC13255664

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 31 Yes

Popular Name: 4-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 4-[(1-hexylbenzimidazol-2-yl)sul…

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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) 6.31 12.84 -48.82 1 6 -1 91 454.597 9 ↓
Lo Low (pH 4.5-6) 6.31 13.29 -53.32 2 6 0 92 455.605 9 ↓

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

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