UCSF

ZINC41584317

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Popular Name: (2E)-7-[[bis(2-methoxyethyl)amino]methyl]-2-[(5-bromo-2-methoxy-phenyl)methylene]-6-hydroxy-4-methyl (2E)-7-[[bis(2-methoxyethyl)amin…

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) 4.07 5.52 -9.86 1 7 0 81 506.393 10 ↓
Hi High (pH 8-9.5) 4.07 6.3 -49.8 0 7 -1 84 505.385 10 ↓
Mid Mid (pH 6-8) 4.07 7.73 -38.63 2 7 1 83 507.401 10 ↓
Mid Mid (pH 6-8) 4.07 8.47 -34.07 1 7 0 85 506.393 10 ↓

Activity (Go SEA)

Rings

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