UCSF

ZINC41585914

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 5.42 12.36 -37.77 2 6 1 71 490.583 5 ↓
Hi High (pH 8-9.5) 5.42 12.78 -45.7 0 6 -1 73 488.567 5 ↓
Mid Mid (pH 6-8) 5.42 14.57 -107.05 3 6 2 72 491.591 5 ↓
Mid Mid (pH 6-8) 5.42 12.02 -12.08 1 6 0 70 489.575 5 ↓
Lo Low (pH 4.5-6) 5.42 14.23 -49.23 2 6 1 71 490.583 5 ↓

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

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