UCSF

ZINC40100512

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 28 No

Popular Name: (2R)-4-hydroxy-1-(2-hydroxyethyl)-3-(3-methoxybenzoyl)-2-(4-methylsulfanylphenyl)-2H-pyrrol-5-one (2R)-4-hydroxy-1-(2-hydroxyethyl…

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Annotations

Vendors

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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) 2.21 5.65 -62.42 1 6 -1 90 398.46 7 ↓
Lo Low (pH 4.5-6) 2.21 4.9 -15.7 2 6 0 87 399.468 7 ↓

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