UCSF

ZINC41514139

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 33 No

Popular Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]m (2Z)-2-[(6-bromo-4H-1,3-benzodio…

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) 2.71 4.03 -44.29 3 8 1 97 518.384 5 ↓
Hi High (pH 8-9.5) 2.71 2.56 -45 1 8 -1 98 516.368 5 ↓
Mid Mid (pH 6-8) 2.71 4.08 -40.48 3 8 1 97 518.384 5 ↓
Mid Mid (pH 6-8) 2.71 1.8 -11.15 2 8 0 96 517.376 5 ↓
Mid Mid (pH 6-8) 2.71 4.8 -28.02 2 8 0 100 517.376 5 ↓

Activity (Go SEA)

Rings

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