UCSF

ZINC17992131

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 19 No

Popular Name: (3E)-1-benzyl-3-hydroxyimino-indolin-2-one (3E)-1-benzyl-3-hydroxyimino-ind…

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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) 2.89 6.49 -13.19 1 4 0 55 252.273 2 ↓
Ref Reference (pH 7) 2.89 5.79 -11.81 1 4 0 55 252.273 2 ↓
Hi High (pH 8-9.5) 2.89 6.79 -57.33 0 4 -1 57 251.265 2 ↓
Hi High (pH 8-9.5) 2.89 7.61 -64.91 0 4 -1 57 251.265 2 ↓
Mid Mid (pH 6-8) 3.55 6.55 -13.61 1 4 0 55 252.273 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0685463A1; US5952511; US6031111; US6114536; US6127544 IBM Patent Data

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