UCSF

ZINC17971788

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 29 No

Popular Name: (4Z,5S)-5-(4-hydroxyphenyl)-4-(hydroxy-phenyl-methylene)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione (4Z,5S)-5-(4-hydroxyphenyl)-4-(h…

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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) 2.06 6.87 -65.71 1 6 -1 94 385.399 5 ↓
Mid Mid (pH 6-8) 1.48 7.61 -22.25 1 6 0 88 386.407 5 ↓
Lo Low (pH 4.5-6) 1.48 7.89 -66.21 2 6 1 89 387.415 5 ↓
Lo Low (pH 4.5-6) 2.06 6.05 -19.52 2 6 0 91 386.407 5 ↓

Activity (Go SEA)

Rings

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