UCSF

ZINC62977225

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 38 No

Popular Name: (2E)-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]be (2E)-2-[[4-(diethylamino)phenyl]…

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) 5.43 10.82 -42.62 2 7 0 71 514.646 8 ↓
Hi High (pH 8-9.5) 5.43 10.69 -11.55 1 7 0 69 513.638 8 ↓
Hi High (pH 8-9.5) 5.43 11.45 -45.44 0 7 -1 72 512.63 8 ↓
Mid Mid (pH 6-8) 5.43 13.79 -62.27 2 7 0 75 514.646 8 ↓
Mid Mid (pH 6-8) 5.43 13.03 -87.02 3 7 0 72 515.654 8 ↓
Mid Mid (pH 6-8) 5.43 11.57 -63.35 1 7 0 73 513.638 8 ↓

Activity (Go SEA)

Rings

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