UCSF

ZINC06565356

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 31 No

Popular Name: 4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-1-(3-methoxypropyl)-5-(p-tolyl)p 4-(2,5-dioxabicyclo[4.4.0]deca-7…

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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) 2.59 7.76 -63.28 0 7 -1 88 422.457 7 ↓
Mid Mid (pH 6-8) 2.59 -0.46 -13.75 1 7 0 85 423.465 7 ↓
Mid Mid (pH 6-8) 2.01 -0.57 -13.26 0 7 0 82 423.465 7 ↓

Activity (Go SEA)

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