UCSF

ZINC00945135

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 26 Yes

Popular Name: 3-hydroxy-6-(hydroxymethyl)-2-[(2-hydroxyphenyl)-[(4-methyl-2-pyridyl)amino]methyl]-pyran-4-one 3-hydroxy-6-(hydroxymethyl)-2-[(…

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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) 1.83 2.34 -40.74 5 7 1 117 355.37 5 ↓
Hi High (pH 8-9.5) 1.83 2.67 -59.13 3 7 -1 119 353.354 5 ↓
Hi High (pH 8-9.5) 1.83 1.87 -12.97 4 7 0 116 354.362 5 ↓
Hi High (pH 8-9.5) 1.83 3.14 -60.94 4 7 0 120 354.362 5 ↓

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Rings

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

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