UCSF

ZINC41585980

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 Yes

Popular Name: 3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-8-[[4-(2-pyridyl)piperazin-1-yl]methyl]chromen-4-one 3-(2-ethoxyphenoxy)-7-hydroxy-2-…

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Download: MOL2 SDF SMILES Flexibase

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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) 4.29 10.45 -42.41 2 8 1 90 488.564 7 ↓
Hi High (pH 8-9.5) 4.29 10.93 -47.77 0 8 -1 91 486.548 7 ↓
Mid Mid (pH 6-8) 4.29 10.15 -17.63 1 8 0 88 487.556 7 ↓
Mid Mid (pH 6-8) 4.29 12.37 -55.09 2 8 1 89 488.564 7 ↓
Mid Mid (pH 6-8) 4.29 12.69 -111.9 3 8 2 91 489.572 7 ↓

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

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