UCSF

ZINC09087157

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 35 No

Popular Name: 5-(3-allyloxyphenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-1-(5-methyl 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) 2.69 9.01 -57.2 0 9 -1 114 490.517 7 ↓
Mid Mid (pH 6-8) 2.11 9.25 -15.61 0 9 0 108 491.525 7 ↓
Mid Mid (pH 6-8) 3.14 8.87 -19.49 1 9 0 111 491.525 6 ↓

Activity (Go SEA)

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