UCSF

ZINC16956154

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 33 No

Popular Name: (4E,5S)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl-hydroxy-methylene (4E,5S)-5-(3-bromo-4-hydroxy-5-m…

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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) 2.17 4.59 -66 1 9 -1 118 519.324 7 ↓
Hi High (pH 8-9.5) 2.17 5.35 -122.87 0 9 -2 120 518.316 7 ↓
Lo Low (pH 4.5-6) 2.17 3.77 -22.34 2 9 0 115 520.332 7 ↓

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