UCSF

ZINC40547869

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 33 No

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

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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) 2.03 2.37 -25.81 3 9 0 133 469.519 4 ↓
Hi High (pH 8-9.5) 2.03 3.2 -47.5 2 9 -1 136 468.511 4 ↓

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

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