UCSF

ZINC41514620

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 No

Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-6-hydroxy-4-methyl-2-[(3-methyl-2-thienyl)methylene]benzofuran- (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) 4.98 11.44 -45.81 2 4 1 55 406.527 5 ↓
Hi High (pH 8-9.5) 4.98 9.89 -44.53 0 4 -1 57 404.511 5 ↓
Mid Mid (pH 6-8) 4.98 12.21 -30.15 1 4 0 58 405.519 5 ↓
Mid Mid (pH 6-8) 4.98 9.12 -8.46 1 4 0 54 405.519 5 ↓

Activity (Go SEA)

Rings

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