UCSF

ZINC09452443

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 39 No

Popular Name: 4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(3-pentoxyphenyl)-1-phenethyl- 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) 5.67 14.51 -56.66 0 7 -1 88 526.609 11 ↓
Mid Mid (pH 6-8) 6.11 12.61 -26.85 1 7 0 85 527.617 10 ↓
Mid Mid (pH 6-8) 5.08 13.58 -21.61 0 7 0 82 527.617 11 ↓

Activity (Go SEA)

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