UCSF

ZINC05934281

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.00 1.03 -53.23 6 9 1 136 357.394 5
Hi High (pH 8-9.5) 0.00 -0.15 -9.94 5 9 0 131 356.386 5
Hi High (pH 8-9.5) 0.00 1.44 -43.9 5 9 0 139 356.386 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5620676 IBM Patent Data

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