UCSF

ZINC40548146

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 31 No

Popular Name: (4S)-3-(5-chloro-2-hydroxy-phenyl)-5-[(3S)-1,1-dioxothiolan-3-yl]-4-(4-fluorophenyl)-1,4-dihydropyrr (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) 3.08 5.96 -41.79 1 7 -1 106 460.894 3 ↓
Mid Mid (pH 6-8) 3.08 4.9 -22.2 2 7 0 103 461.902 3 ↓
Mid Mid (pH 6-8) 3.08 5.2 -22.94 2 7 0 103 461.902 3 ↓

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

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