UCSF

ZINC09454983

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Substance Information

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

Popular Name: 1-benzyl-5-(4-dimethylaminophenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydro 1-benzyl-5-(4-dimethylaminopheny…

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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) 3.39 10.26 -63.85 0 7 -1 82 469.517 6 ↓
Mid Mid (pH 6-8) 2.48 5.87 -7.75 0 4 0 33 334.485 3 ↓
Mid Mid (pH 6-8) 2.48 8.22 -40.07 1 4 1 34 335.493 3 ↓

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