UCSF

ZINC09471244

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 33 No

Popular Name: 1-benzyl-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(3-hydroxyphenyl)-5H- 1-benzyl-4-(2,5-dioxabicyclo[4.4…

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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) 2.78 6.98 -60.39 1 7 -1 99 442.447 5 ↓
Mid Mid (pH 6-8) 1.44 6.01 -46.88 2 6 1 61 333.456 3 ↓
Mid Mid (pH 6-8) 1.44 6.12 -92.64 3 6 2 62 334.464 3 ↓
Mid Mid (pH 6-8) 1.44 6.18 -96.78 3 6 2 62 334.464 3 ↓
Mid Mid (pH 6-8) 1.44 3.96 -28.98 2 6 1 61 333.456 3 ↓
Mid Mid (pH 6-8) 1.44 3.8 -8.53 1 6 0 60 332.448 3 ↓
Lo Low (pH 4.5-6) 2.78 6.23 -15.65 2 7 0 96 443.455 5 ↓

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