UCSF

ZINC20649180

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 33 No

Popular Name: (2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzofur (2E)-2-[(1-ethylindol-3-yl)methy…

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Download: MOL2 SDF SMILES Flexibase

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) 2.78 7.16 -52.25 3 7 1 83 448.543 6 ↓
Mid Mid (pH 6-8) 2.78 7.78 -30.14 2 7 0 86 447.535 6 ↓
Mid Mid (pH 6-8) 2.78 4.83 -15.44 2 7 0 82 447.535 6 ↓
Mid Mid (pH 6-8) 2.78 5.47 -48.42 1 7 -1 85 446.527 6 ↓

Activity (Go SEA)

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