UCSF

ZINC41585618

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2E)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-2-[(1-methylindol-3-yl)methylene]benzofu (2E)-7-[[4-(4-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) 4.90 11.16 -12.18 1 6 0 62 483.543 4 ↓
Mid Mid (pH 6-8) 4.90 11.75 -43.8 0 6 -1 65 482.535 4 ↓
Mid Mid (pH 6-8) 4.90 13.42 -51.26 2 6 1 63 484.551 4 ↓
Mid Mid (pH 6-8) 4.90 13.98 -34.45 1 6 0 66 483.543 4 ↓

Activity (Go SEA)

Rings

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

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