UCSF

ZINC40548648

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 36 No

Popular Name: 2-[4-[(4R)-5-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-hydroxy-3,5-dimethyl-phenyl)-6-oxo-1,4-dihydropyrrolo 2-[4-[(4R)-5-[(3S)-1,1-dioxothio…

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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) 1.85 3.34 -32.7 4 10 0 156 510.572 6 ↓
Hi High (pH 8-9.5) 1.85 4.07 -56.74 3 10 -1 159 509.564 6 ↓

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

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