UCSF

ZINC13411675

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 31 Yes

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

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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) 5.13 12.27 -50.98 1 6 -1 91 446.533 5 ↓
Lo Low (pH 4.5-6) 5.13 12.72 -52.55 2 6 0 92 447.541 5 ↓

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

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