UCSF

ZINC22862040

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 28 No

Popular Name: (2E)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(4-pyridylmethylene)benzofuran-3-one (2E)-6-hydroxy-7-[[4-(2-hydroxye…

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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) 0.90 2.78 -55.27 3 7 1 91 382.44 5 ↓
Mid Mid (pH 6-8) 0.90 3.41 -30.85 2 7 0 94 381.432 5 ↓
Mid Mid (pH 6-8) 0.90 0.46 -14.79 2 7 0 90 381.432 5 ↓
Mid Mid (pH 6-8) 0.90 1.09 -44.65 1 7 -1 93 380.424 5 ↓
Lo Low (pH 4.5-6) 0.90 3.24 -91.84 4 7 2 92 383.448 5 ↓

Activity (Go SEA)

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