UCSF

ZINC62977215

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 37 No

Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-benzofuran-3 (2Z)-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) 5.08 13.32 -103.44 3 6 0 63 499.655 8 ↓
Hi High (pH 8-9.5) 5.08 11.49 -44.72 0 6 -1 63 496.631 8 ↓
Hi High (pH 8-9.5) 5.08 10.92 -9.83 1 6 0 60 497.639 8 ↓
Mid Mid (pH 6-8) 5.08 11.02 -50.02 2 6 0 61 498.647 8 ↓
Mid Mid (pH 6-8) 5.08 13.27 -128.24 3 6 0 63 499.655 8 ↓

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

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