UCSF

ZINC40548301

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Substance Information

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

Popular Name: (4S)-4-(3-butoxyphenyl)-3-(5-chloro-2-hydroxy-phenyl)-5-[(3S)-1,1-dioxothiolan-3-yl]-1,4-dihydropyrr (4S)-4-(3-butoxyphenyl)-3-(5-chl…

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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) 4.39 7.7 -43.8 1 8 -1 115 515.011 7 ↓
Mid Mid (pH 6-8) 4.39 6.64 -19.81 2 8 0 113 516.019 7 ↓
Mid Mid (pH 6-8) 4.39 6.94 -21.02 2 8 0 113 516.019 7 ↓

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

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