UCSF

ZINC05200518

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 23 No

Popular Name: 5-bromo-2-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxo-pyran-3-yl)ethylideneamino]benzamide 5-bromo-2-hydroxy-N-[1-(4-hydrox…

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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) 3.12 4.57 -54.15 2 7 -1 115 380.174 3 ↓
Hi High (pH 8-9.5) 3.12 5.57 -115.81 1 7 -2 118 379.166 3 ↓
Hi High (pH 8-9.5) 2.97 5.45 -107.26 2 7 -2 117 379.166 4 ↓
Mid Mid (pH 6-8) 2.97 3.68 -23 4 7 0 112 381.182 4 ↓

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