UCSF

ZINC41585083

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-6-hydroxy-4-methyl-7-[(4-phenylpiperazin-1-yl)methyl]benzofu (2Z)-2-[(2,4-dimethoxyphenyl)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) 4.94 11.12 -51.81 2 7 1 77 487.576 6 ↓
Mid Mid (pH 6-8) 4.94 9.46 -44.43 0 7 -1 78 485.56 6 ↓
Mid Mid (pH 6-8) 4.94 11.68 -34.17 1 7 0 79 486.568 6 ↓
Mid Mid (pH 6-8) 4.94 8.86 -11.41 1 7 0 75 486.568 6 ↓

Activity (Go SEA)

Rings

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