UCSF

ZINC41585427

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Popular Name: (2Z)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-2-(2-thienylmethylene)benzofuran-3-one (2Z)-7-[[4-(2-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) 4.53 9.07 -10.87 1 5 0 57 436.508 4 ↓
Mid Mid (pH 6-8) 4.53 9.66 -43.37 0 5 -1 60 435.5 4 ↓
Mid Mid (pH 6-8) 4.53 11.31 -47.22 2 5 1 58 437.516 4 ↓
Mid Mid (pH 6-8) 4.53 11.88 -29.49 1 5 0 61 436.508 4 ↓

Activity (Go SEA)

Rings

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

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