UCSF

ZINC40046885

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 25 No

Popular Name: (2S)-4-hydroxy-1-(3-hydroxypropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-pyridyl)-2H-pyrrol-5-one (2S)-4-hydroxy-1-(3-hydroxypropy…

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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) 0.21 2.81 -61.14 1 7 -1 107 341.343 6 ↓
Lo Low (pH 4.5-6) 0.21 2.52 -44.98 3 7 1 105 343.359 6 ↓
Lo Low (pH 4.5-6) 0.21 2.06 -15.97 2 7 0 104 342.351 6 ↓
Lo Low (pH 4.5-6) 0.21 3.27 -69.8 2 7 0 108 342.351 6 ↓

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