UCSF

ZINC40547624

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 35 No

Popular Name: (4S)-5-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-hydroxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrol (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) 1.89 3.46 -27.94 2 10 0 131 499.545 6 ↓
Mid Mid (pH 6-8) 1.89 4.22 -64.2 1 10 -1 134 498.537 6 ↓

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

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