UCSF

ZINC41584299

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]-6-hydroxy-2-[(2-methoxyphenyl)methylene]-4-methyl-benzofur (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) 3.28 4.91 -9.78 1 7 0 81 427.497 10 ↓
Hi High (pH 8-9.5) 3.28 7.16 -45.5 0 7 -1 84 426.489 10 ↓
Mid Mid (pH 6-8) 3.28 7.14 -37.7 2 7 1 83 428.505 10 ↓
Mid Mid (pH 6-8) 3.28 7.85 -33.36 1 7 0 85 427.497 10 ↓

Activity (Go SEA)

Rings

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