UCSF

ZINC41070786

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 19 Yes

Popular Name: 2-[(5-hydroxy-4-oxo-pyran-2-yl)methylsulfanyl]pyridine-4-carboxylic 2-[(5-hydroxy-4-oxo-pyran-2-yl)m…

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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) 0.93 4.34 -54.86 1 6 -1 103 278.265 4 ↓
Mid Mid (pH 6-8) 0.93 5.21 -98.8 0 6 -2 106 277.257 4 ↓

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

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