UCSF

ZINC41584324

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Popular Name: (2E)-7-[[bis(2-methoxyethyl)amino]methyl]-2-[(4-ethylphenyl)methylene]-6-hydroxy-4-methyl-benzofuran (2E)-7-[[bis(2-methoxyethyl)amin…

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) 4.19 6.95 -8.94 1 6 0 72 425.525 10 ↓
Hi High (pH 8-9.5) 4.19 8.55 -44.27 0 6 -1 75 424.517 10 ↓
Mid Mid (pH 6-8) 4.19 9.99 -34.83 1 6 0 76 425.525 10 ↓
Mid Mid (pH 6-8) 4.19 9.22 -39.14 2 6 1 73 426.533 10 ↓

Activity (Go SEA)

Rings

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