UCSF

ZINC09375023

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 34 No

Popular Name: 5-(3,4-dimethoxyphenyl)-1-(6-fluorobenzothiazol-2-yl)-3-hydroxy-4-(2-thienylcarbonyl)-5H-pyrrol-2-on 5-(3,4-dimethoxyphenyl)-1-(6-flu…

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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) 4.32 10.01 -57.29 0 7 -1 92 495.533 6 ↓
Mid Mid (pH 6-8) 4.76 9.71 -19.42 1 7 0 89 496.541 5 ↓
Mid Mid (pH 6-8) 3.73 -0.03 -18.93 0 7 0 85 496.541 6 ↓

Activity (Go SEA)

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