UCSF

ZINC09424599

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 34 No

Popular Name: 5-(4-bromophenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-1-phenethyl-5H 5-(4-bromophenyl)-4-(2,5-dioxabi…

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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) 4.50 11.62 -59.06 0 6 -1 79 519.371 6 ↓
Mid Mid (pH 6-8) 3.92 12.07 -22.42 0 6 0 73 520.379 6 ↓
Mid Mid (pH 6-8) 4.95 11.08 -28.41 1 6 0 76 520.379 5 ↓

Activity (Go SEA)

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