UCSF

ZINC40098203

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 29 No

Popular Name: (2R)-4-hydroxy-1-(2-hydroxyethyl)-3-(7-methoxybenzofuran-2-carbonyl)-2-(4-pyridyl)-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) 1.03 3.38 -61.11 1 8 -1 116 393.375 6 ↓
Lo Low (pH 4.5-6) 1.03 3.09 -43.21 3 8 1 114 395.391 6 ↓
Lo Low (pH 4.5-6) 1.03 2.63 -14.58 2 8 0 113 394.383 6 ↓
Lo Low (pH 4.5-6) 1.03 3.84 -68.35 2 8 0 117 394.383 6 ↓

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