UCSF

ZINC41514597

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]-6-hydroxy-4-methyl-2-[(4-nitrophenyl)methylene]benzofuran-3-one (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) 4.66 12.88 -53.52 2 7 1 101 431.468 6 ↓
Hi High (pH 8-9.5) 4.66 11.07 -41.03 0 7 -1 102 429.452 6 ↓
Mid Mid (pH 6-8) 4.66 10.52 -11.27 1 7 0 100 430.46 6 ↓
Mid Mid (pH 6-8) 4.66 13.44 -31.55 1 7 0 104 430.46 6 ↓

Activity (Go SEA)

Rings

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