UCSF

ZINC40548219

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 32 No

Popular Name: (4S)-3-(5-chloro-2-hydroxy-phenyl)-5-[(3S)-1,1-dioxothiolan-3-yl]-4-(3-methoxyphenyl)-1,4-dihydropyr (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) 2.95 5.2 -43.96 1 8 -1 115 472.93 4 ↓
Mid Mid (pH 6-8) 2.95 4.13 -20.31 2 8 0 113 473.938 4 ↓
Mid Mid (pH 6-8) 2.95 4.43 -21.55 2 8 0 113 473.938 4 ↓

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

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