UCSF

ZINC41585504

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 Yes

Popular Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one 8-[[4-(2-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) 6.08 10.51 -9.42 1 5 0 57 498.476 5 ↓
Hi High (pH 8-9.5) 6.08 11.27 -41.77 0 5 -1 60 497.468 5 ↓
Mid Mid (pH 6-8) 6.08 12.73 -47.39 2 5 1 58 499.484 5 ↓

Activity (Go SEA)

Rings

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

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