UCSF

ZINC41585368

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 Yes

Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-chromen-4-one 8-[[4-(3-chlorophenyl)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) 5.85 11.16 -16.74 1 7 0 75 521.013 7 ↓
Hi High (pH 8-9.5) 5.85 11.94 -47.83 0 7 -1 78 520.005 7 ↓
Mid Mid (pH 6-8) 5.85 13.37 -58.45 2 7 1 77 522.021 7 ↓

Activity (Go SEA)

Rings

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

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