UCSF

ZINC41585591

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-benzofuran (2Z)-2-[(4-ethoxyphenyl)methylen…

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) 5.12 9.84 -11.5 1 6 0 66 474.532 6 ↓
Mid Mid (pH 6-8) 5.12 10.43 -41.32 0 6 -1 69 473.524 6 ↓
Mid Mid (pH 6-8) 5.12 12.1 -56.09 2 6 1 67 475.54 6 ↓
Mid Mid (pH 6-8) 5.12 12.66 -36.12 1 6 0 70 474.532 6 ↓

Activity (Go SEA)

Rings

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