UCSF

ZINC13161712

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 2nd, 2008 27 No

Popular Name: (4E,5S)-5-(4-fluorophenyl)-4-(hydroxy-phenyl-methylene)-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dio (4E,5S)-5-(4-fluorophenyl)-4-(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) 2.96 8.39 -52.3 0 6 -1 86 380.38 4 ↓
Mid Mid (pH 6-8) 2.37 8.6 -11.78 0 6 0 80 381.388 4 ↓
Mid Mid (pH 6-8) 2.96 8.24 -14.25 1 6 0 83 381.388 4 ↓

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