UCSF

ZINC39849138

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 No

Popular Name: (2R)-4-hydroxy-1-(3-morpholinopropyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(2-pyridyl)-2H-pyrrol-5-one (2R)-4-hydroxy-1-(3-morpholinopr…

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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) 1.73 7.67 -69.7 0 7 -1 86 432.5 8 ↓
Mid Mid (pH 6-8) 1.73 9.95 -83.81 1 7 0 87 433.508 8 ↓
Lo Low (pH 4.5-6) 1.73 9.52 -116.81 3 7 2 85 435.524 8 ↓
Lo Low (pH 4.5-6) 1.73 10.42 -111.94 2 7 1 88 434.516 8 ↓
Lo Low (pH 4.5-6) 1.73 9.04 -52.95 2 7 1 84 434.516 8 ↓

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