UCSF

ZINC41636143

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 Yes

Popular Name: 2-[(5-hydroxy-4-oxo-pyran-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-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) 1.41 5.61 -61.86 1 6 -1 103 306.319 4 ↓
Mid Mid (pH 6-8) 1.41 6.48 -114.34 0 6 -2 106 305.311 4 ↓

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

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