UCSF

ZINC22027133

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 28 No

Popular Name: (2E)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(3-methyl-2-thienyl)methylene]benzofu (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) 2.47 4.31 -49.02 3 6 1 78 401.508 5 ↓
Mid Mid (pH 6-8) 2.47 4.93 -27.8 2 6 0 81 400.5 5 ↓
Mid Mid (pH 6-8) 2.47 1.98 -12.31 2 6 0 77 400.5 5 ↓
Mid Mid (pH 6-8) 2.47 2.61 -45.47 1 6 -1 80 399.492 5 ↓

Activity (Go SEA)

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