UCSF

ZINC41584311

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Popular Name: (2E)-7-[[bis(2-methoxyethyl)amino]methyl]-2-[(2-ethoxyphenyl)methylene]-6-hydroxy-4-methyl-benzofura (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) 3.66 5.82 -9.69 1 7 0 81 441.524 11 ↓
Hi High (pH 8-9.5) 3.66 6.58 -49.9 0 7 -1 84 440.516 11 ↓
Mid Mid (pH 6-8) 3.66 8.09 -37.87 2 7 1 83 442.532 11 ↓
Mid Mid (pH 6-8) 3.66 8.81 -33.2 1 7 0 85 441.524 11 ↓

Activity (Go SEA)

Rings

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