UCSF

ZINC40548847

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 37 No

Popular Name: (4R)-5-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-hydroxy-4,5-dimethyl-phenyl)-4-(3,4,5-trimethoxyphenyl)-1,4 (4R)-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) 2.70 4.86 -26.21 2 10 0 131 527.599 6 ↓
Ref Reference (pH 7) 2.69 4.76 -24.37 2 10 0 131 527.599 6 ↓
Hi High (pH 8-9.5) 2.70 5.55 -53 1 10 -1 134 526.591 6 ↓

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

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