UCSF

ZINC41584921

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

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

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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) 4.82 13.39 -43.25 2 6 1 63 494.615 6 ↓
Hi High (pH 8-9.5) 4.82 11.67 -45.17 0 6 -1 65 492.599 6 ↓
Mid Mid (pH 6-8) 4.82 11.1 -10.75 1 6 0 62 493.607 6 ↓
Mid Mid (pH 6-8) 4.82 13.35 -45.92 2 6 1 63 494.615 6 ↓
Mid Mid (pH 6-8) 4.82 13.96 -29.75 1 6 0 66 493.607 6 ↓

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