UCSF

ZINC13162032

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 2nd, 2008 31 No

Popular Name: (4E,5S)-4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(2-furylmethyl)-5-(4-pyridyl)pyrrolidine-2,3-dion (4E,5S)-4-[(4-allyloxyphenyl)-hy…

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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) 2.45 8 -60.68 0 7 -1 96 415.425 8 ↓
Mid Mid (pH 6-8) 1.86 8.97 -12.48 0 7 0 90 416.433 8 ↓
Mid Mid (pH 6-8) 2.45 8.57 -13.33 1 7 0 93 416.433 8 ↓
Lo Low (pH 4.5-6) 2.45 8.85 -43.42 2 7 1 94 417.441 8 ↓
Lo Low (pH 4.5-6) 1.86 9.25 -47.43 1 7 1 91 417.441 8 ↓

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