UCSF

ZINC40548279

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 31 No

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

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Vendors

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) 2.41 3.04 -45.16 2 8 -1 126 458.903 3 ↓
Mid Mid (pH 6-8) 2.41 1.98 -21.77 3 8 0 124 459.911 3 ↓
Mid Mid (pH 6-8) 2.41 2.28 -22.55 3 8 0 124 459.911 3 ↓

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

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