UCSF

ZINC09460818

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 No

Popular Name: 5-(4-allyloxy-3-ethoxy-phenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-1 5-(4-allyloxy-3-ethoxy-phenyl)-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) 2.54 8.4 -65.15 0 9 -1 107 494.52 11 ↓
Mid Mid (pH 6-8) 2.98 7.68 -21.33 1 9 0 104 495.528 10 ↓
Mid Mid (pH 6-8) 1.95 8.68 -18.28 0 9 0 101 495.528 11 ↓
Mid Mid (pH 6-8) 2.19 4.12 -12.33 1 5 0 54 343.452 4 ↓
Mid Mid (pH 6-8) 2.19 6.45 -48.72 2 5 1 56 344.46 4 ↓

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