UCSF

ZINC09487958

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2007 35 No

Popular Name: 4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-5-(3-ethoxyphenyl)-3-hydroxy-1-(4-pyridylm 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) 2.40 8.27 -60.02 0 8 -1 101 471.489 7 ↓
Lo Low (pH 4.5-6) 2.40 7.99 -45.95 2 8 1 99 473.505 7 ↓
Lo Low (pH 4.5-6) 2.40 7.53 -16.96 1 8 0 98 472.497 7 ↓

Activity (Go SEA)

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