UCSF

ZINC41585171

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-7-[(4-phenylpiperazin-1-yl)methyl]benzofuran-3-one (2E)-2-[(1-ethylindol-3-yl)methy…

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) 5.11 11.73 -10.77 1 6 0 62 479.58 5 ↓
Mid Mid (pH 6-8) 5.11 12.5 -45.1 0 6 -1 65 478.572 5 ↓
Mid Mid (pH 6-8) 5.11 13.96 -47.19 2 6 1 63 480.588 5 ↓
Mid Mid (pH 6-8) 5.11 14.71 -30.73 1 6 0 66 479.58 5 ↓

Activity (Go SEA)

Rings

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