UCSF

ZINC09471300

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 37 No

Popular Name: 4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-5-(3-ethoxy-4-propoxy-phenyl)-3-hydroxy-1- 4-(2,5-dioxabicyclo[4.4.0]deca-7…

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Download: MOL2 SDF SMILES Flexibase

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) 3.04 8.9 -63.44 0 9 -1 107 510.563 12 ↓
Mid Mid (pH 6-8) 2.46 8.79 -27.97 0 9 0 101 511.571 12 ↓
Mid Mid (pH 6-8) 3.49 7.82 -30.03 1 9 0 104 511.571 11 ↓
Mid Mid (pH 6-8) 0.26 5.36 -24.15 0 7 0 68 338.433 2 ↓

Activity (Go SEA)

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