UCSF

ZINC40548710

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 34 No

Popular Name: (4S)-5-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-hydroxy-4,5-dimethyl-phenyl)-4-(3-nitrophenyl)-1,4-dihydrop (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) 3.00 6.49 -24.09 2 10 0 149 482.518 4 ↓
Ref Reference (pH 7) 3.00 6.54 -23.64 2 10 0 149 482.518 4 ↓
Hi High (pH 8-9.5) 3.00 7.32 -47.44 1 10 -1 152 481.51 4 ↓

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

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