UCSF

ZINC41585409

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 39 No

Popular Name: (2E)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4-methyl-2-[(4-phenylphenyl)methylene]be (2E)-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) 6.81 16.21 -43.15 2 5 1 58 521.612 5 ↓
Mid Mid (pH 6-8) 6.81 16.77 -31.94 1 5 0 61 520.604 5 ↓
Mid Mid (pH 6-8) 6.81 13.97 -10.99 1 5 0 57 520.604 5 ↓
Mid Mid (pH 6-8) 6.81 14.56 -49.17 0 5 -1 60 519.596 5 ↓

Activity (Go SEA)

Rings

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

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