UCSF

ZINC09436910

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 35 No

Popular Name: 1-benzyl-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-5-(3-nitrophenyl)-pyrro 1-benzyl-4-(2,5-dioxabicyclo[4.4…

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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) 3.22 11.33 -56.15 0 9 -1 125 471.445 6 ↓
Mid Mid (pH 6-8) 3.67 10.47 -19.42 1 9 0 122 472.453 5 ↓
Mid Mid (pH 6-8) 2.64 10.83 -16.49 0 9 0 119 472.453 6 ↓

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