UCSF

ZINC41585918

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Popular Name: (2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3 (2E)-6-hydroxy-2-[(1-methylindol…

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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) 3.84 10.64 -36.15 2 7 1 76 467.549 4 ↓
Hi High (pH 8-9.5) 3.84 11.05 -46.67 0 7 -1 78 465.533 4 ↓
Mid Mid (pH 6-8) 3.84 10.3 -12.2 1 7 0 75 466.541 4 ↓
Mid Mid (pH 6-8) 3.84 12.86 -103.69 3 7 2 77 468.557 4 ↓
Lo Low (pH 4.5-6) 3.84 12.51 -47.09 2 7 1 76 467.549 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.