UCSF

ZINC41585763

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

Popular Name: (2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzofu (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) 5.17 11.02 -12.14 1 7 0 71 509.606 6 ↓
Mid Mid (pH 6-8) 5.17 14.01 -32.79 1 7 0 75 509.606 6 ↓
Mid Mid (pH 6-8) 5.17 13.26 -49.61 2 7 1 72 510.614 6 ↓
Mid Mid (pH 6-8) 5.17 11.78 -45.75 0 7 -1 74 508.598 6 ↓

Activity (Go SEA)

Rings

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