UCSF

ZINC38599077

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 25 Yes

Popular Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-furan-3-carboxamide N-[2-[4-(2-fluorophenyl)piperazi…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.26 8.93 -43.53 2 5 1 50 346.426 5 ↓
Mid Mid (pH 6-8) 2.26 6.72 -10.1 1 5 0 49 345.418 5 ↓

Activity (Go SEA)

Rings

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

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