UCSF

ZINC39849159

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 No

Popular Name: (2S)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-(2-pyridyl)-1-(3-pyridylmethyl)-2H-pyrrol-5-one (2S)-4-hydroxy-3-[(E)-3-phenylpr…

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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) 1.74 9.48 -49.35 0 6 -1 86 396.426 6 ↓
Mid Mid (pH 6-8) 1.74 10.92 -70.37 1 6 0 87 397.434 6 ↓
Lo Low (pH 4.5-6) 1.74 10.02 -52.5 2 6 1 85 398.442 6 ↓
Lo Low (pH 4.5-6) 1.74 8.73 -10.95 1 6 0 83 397.434 6 ↓

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