UCSF

ZINC09411886

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 35 No

Popular Name: 5-(3-butoxyphenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-1-(3-methoxyp 5-(3-butoxyphenyl)-4-(2,5-dioxab…

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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) 3.61 8.82 -62.2 0 8 -1 97 480.537 11 ↓
Mid Mid (pH 6-8) 4.06 -0.14 -19.35 1 8 0 94 481.545 10 ↓
Mid Mid (pH 6-8) 3.03 -0.66 -14.66 0 8 0 91 481.545 11 ↓

Activity (Go SEA)

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