UCSF

ZINC62957657

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 34 No

Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-4-methyl-benzof (2Z)-7-[[benzyl(methyl)amino]met…

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) 5.56 14.56 -104.84 3 5 0 59 458.602 8 ↓
Hi High (pH 8-9.5) 5.56 12.65 -44.57 0 5 -1 60 455.578 8 ↓
Hi High (pH 8-9.5) 5.56 12.1 -9.56 1 5 0 57 456.586 8 ↓
Hi High (pH 8-9.5) 5.56 15.03 -30.11 1 5 0 61 456.586 8 ↓
Mid Mid (pH 6-8) 5.56 12.2 -49.05 2 5 0 58 457.594 8 ↓
Mid Mid (pH 6-8) 5.56 14.44 -47.2 2 5 1 58 457.594 8 ↓
Mid Mid (pH 6-8) 5.56 15.12 -74.79 2 5 0 62 457.594 8 ↓

Activity (Go SEA)

Rings

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

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