UCSF

ZINC41514801

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 Yes

Popular Name: 3-acetyl-8-[[benzyl(methyl)amino]methyl]-7-hydroxy-chromen-2-one 3-acetyl-8-[[benzyl(methyl)amino…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

    None

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) 2.94 8.96 -44.31 2 5 1 72 338.383 5 ↓
Hi High (pH 8-9.5) 2.94 7.35 -36.68 0 5 -1 74 336.367 5 ↓
Hi High (pH 8-9.5) 2.94 9.69 -22.56 1 5 0 75 337.375 5 ↓
Mid Mid (pH 6-8) 2.94 6.58 -10.37 1 5 0 71 337.375 5 ↓

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