UCSF

ZINC40548207

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 34 No

Popular Name: (4S)-3-(5-chloro-2-hydroxy-phenyl)-5-[(3S)-1,1-dioxothiolan-3-yl]-4-(3-ethoxy-4-hydroxy-phenyl)-1,4- (4S)-3-(5-chloro-2-hydroxy-pheny…

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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) 2.63 3.97 -46.8 2 9 -1 136 502.956 5 ↓
Mid Mid (pH 6-8) 2.63 2.89 -23.69 3 9 0 133 503.964 5 ↓
Mid Mid (pH 6-8) 2.63 3.2 -23.93 3 9 0 133 503.964 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.