UCSF

ZINC12569841

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 29 No

Popular Name: 4-hydroxy-N-[(5Z)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-3-metho 4-hydroxy-N-[(5Z)-5-[(4-hydroxy-…

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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) 1.36 3.51 -20.29 3 8 0 110 432.479 5 ↓
Hi High (pH 8-9.5) 1.43 2.78 -120.92 1 8 -2 119 430.463 5 ↓
Hi High (pH 8-9.5) 1.36 4.44 -57.05 2 8 -1 113 431.471 5 ↓
Hi High (pH 8-9.5) 1.43 1.86 -57.79 2 8 -1 116 431.471 5 ↓

Activity (Go SEA)

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