UCSF

ZINC40548128

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Substance Information

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

Popular Name: (4R)-3-(5-chloro-2-hydroxy-phenyl)-5-[(3S)-1,1-dioxothiolan-3-yl]-4-(3-nitrophenyl)-1,4-dihydropyrro (4R)-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) 2.85 6.48 -51.09 1 10 -1 152 487.901 4 ↓
Mid Mid (pH 6-8) 2.85 5.53 -27.43 2 10 0 149 488.909 4 ↓
Mid Mid (pH 6-8) 2.85 5.7 -24.88 2 10 0 149 488.909 4 ↓

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

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