UCSF

ZINC41585661

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 Yes

Popular Name: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(4-methoxyphenyl)chromen-4-one 8-[[4-(4-fluorophenyl)piperazin-…

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) 5.05 8.51 -14.64 1 6 0 66 460.505 5 ↓
Mid Mid (pH 6-8) 5.05 10.73 -57.99 2 6 1 67 461.513 5 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.