UCSF

ZINC09459498

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 33 No

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

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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) 2.55 8.35 -60.59 0 8 -1 97 450.467 9 ↓
Mid Mid (pH 6-8) 2.99 6.49 -29.77 1 8 0 95 451.475 8 ↓
Mid Mid (pH 6-8) 2.18 7.78 -36.86 2 4 1 39 288.415 3 ↓
Mid Mid (pH 6-8) 2.18 8.24 -86.16 3 4 2 40 289.423 3 ↓

Activity (Go SEA)

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