UCSF

ZINC03946613

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 35 No

Popular Name: [4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-hydroxyimino-methyl-BLAHone [4-[4-(2-hydroxyethyl)piperazin-…

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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) 0.76 -1.49 -15.77 2 10 0 123 499.593 6 ↓
Mid Mid (pH 6-8) 1.09 0.45 -109.52 5 10 2 129 501.609 6 ↓
Lo Low (pH 4.5-6) 1.09 2.75 -168.4 6 10 3 130 502.617 6 ↓
Lo Low (pH 4.5-6) 1.27 1.12 -52.47 4 10 1 131 500.601 5 ↓
Lo Low (pH 4.5-6) 0.76 0.81 -52.25 3 10 1 124 500.601 6 ↓
Lo Low (pH 4.5-6) 0.76 0.92 -57.34 3 10 1 124 500.601 6 ↓
Lo Low (pH 4.5-6) 0.76 0.81 -52.44 3 10 1 124 500.601 6 ↓
Lo Low (pH 4.5-6) 0.76 0.92 -57.85 3 10 1 124 500.601 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1996008495A1 IBM Patent Data

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