UCSF

ZINC09437222

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Substance Information

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

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

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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) 3.96 10.34 -60.3 0 6 -1 79 460.893 5 ↓
Mid Mid (pH 6-8) 4.41 11.22 -19.76 1 6 0 76 461.901 4 ↓
Mid Mid (pH 6-8) 3.38 11.49 -12.83 0 6 0 73 461.901 5 ↓

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