UCSF

ZINC40545263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 27 Yes

Popular Name: 2-[(5,6,7-trimethoxy-3-oxo-1H-isobenzofuran-4-yl)methylsulfanyl]pyridine-3-carboxylic 2-[(5,6,7-trimethoxy-3-oxo-1H-is…

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Download: MOL2 SDF SMILES Flexibase

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) 2.30 7.81 -56.84 0 8 -1 107 390.393 7 ↓

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Rings

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

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