UCSF

ZINC41585594

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

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

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) 4.74 8.91 -11.64 1 6 0 66 460.505 5 ↓
Mid Mid (pH 6-8) 4.74 9.5 -41.62 0 6 -1 69 459.497 5 ↓
Mid Mid (pH 6-8) 4.74 11.17 -56 2 6 1 67 461.513 5 ↓
Mid Mid (pH 6-8) 4.74 11.73 -36.2 1 6 0 70 460.505 5 ↓

Activity (Go SEA)

Rings

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