UCSF

ZINC40547660

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 37 No

Popular Name: (4S)-5-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-hydroxyphenyl)-4-(4-isopentyloxy-3-methoxy-phenyl)-1,4-dihy (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) 3.56 6.54 -27.62 2 9 0 122 525.627 8 ↓
Mid Mid (pH 6-8) 3.56 7.32 -65.49 1 9 -1 125 524.619 8 ↓

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

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