UCSF

ZINC09424596

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 32 No

Popular Name: 4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(3-methoxy 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) 2.20 6.72 -62 0 8 -1 97 438.456 8 ↓
Mid Mid (pH 6-8) 2.64 5.66 -29.08 1 8 0 95 439.464 7 ↓
Mid Mid (pH 6-8) 1.61 -1.15 -23.95 0 8 0 91 439.464 8 ↓

Activity (Go SEA)

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