UCSF

ZINC09456062

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Substance Information

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

Popular Name: 1-benzyl-5-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 1-benzyl-5-(3-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) 3.94 11.11 -57.87 0 6 -1 79 460.893 5 ↓
Mid Mid (pH 6-8) 4.39 -1.16 -26.63 1 6 0 76 461.901 4 ↓

Activity (Go SEA)

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