UCSF

ZINC41514554

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 No

Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-2-[(2-ethoxyphenyl)methylene]-6-hydroxy-4-methyl-benzofuran-3-o (2Z)-7-[[benzyl(methyl)amino]met…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.09 12.13 -48.94 2 5 1 64 430.524 7 ↓
Hi High (pH 8-9.5) 5.09 10.55 -45.57 0 5 -1 66 428.508 7 ↓
Mid Mid (pH 6-8) 5.09 9.79 -9.59 1 5 0 63 429.516 7 ↓
Mid Mid (pH 6-8) 5.09 12.89 -32.9 1 5 0 67 429.516 7 ↓

Activity (Go SEA)

Rings

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