UCSF

ZINC41584869

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Substance Information

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

Popular Name: (2E)-7-[(4-benzylpiperazin-1-yl)methyl]-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-4-methyl-benzofur (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) 5.19 14.03 -42.65 2 6 1 63 508.642 6 ↓
Hi High (pH 8-9.5) 5.19 12.31 -46.08 0 6 -1 65 506.626 6 ↓
Mid Mid (pH 6-8) 5.19 11.74 -10.56 1 6 0 62 507.634 6 ↓
Mid Mid (pH 6-8) 5.19 13.99 -45.52 2 6 1 63 508.642 6 ↓
Mid Mid (pH 6-8) 5.19 14.6 -29.28 1 6 0 66 507.634 6 ↓

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