UCSF

ZINC22027119

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 No

Popular Name: (2E)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(2-thienylmethylene)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) 2.09 3.69 -52.05 3 6 1 78 387.481 5 ↓
Mid Mid (pH 6-8) 2.09 4.32 -29.37 2 6 0 81 386.473 5 ↓
Mid Mid (pH 6-8) 2.09 1.36 -13.79 2 6 0 77 386.473 5 ↓
Mid Mid (pH 6-8) 2.09 2 -45.64 1 6 -1 80 385.465 5 ↓

Activity (Go SEA)

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