UCSF

ZINC06458860

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 31 No

Popular Name: 4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrr 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) 2.31 7.95 -41.2 0 7 -1 88 426.42 7 ↓
Mid Mid (pH 6-8) 2.75 0.99 -26.64 1 7 0 85 427.428 6 ↓
Mid Mid (pH 6-8) 1.72 1.47 -18.07 0 7 0 82 427.428 7 ↓

Activity (Go SEA)

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