UCSF

ZINC13548594

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 No

Popular Name: (4E,5S)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-5-(1-naphthyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dio (4E,5S)-4-[(4-ethoxyphenyl)-hydr…

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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) 4.13 12.27 -54.09 0 6 -1 83 463.513 7 ↓
Mid Mid (pH 6-8) 4.58 11.41 -16.98 1 6 0 80 464.521 6 ↓
Lo Low (pH 4.5-6) 4.58 11.69 -48.09 2 6 1 81 465.529 6 ↓

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