UCSF

ZINC34936500

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 Yes

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Vendors

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) 0.98 3.95 -4.6 2 3 0 52 179.219 4

Vendor Notes

Note Type Comments Provided By
MP 112-116 °C Indofine
Melting_Point 114-116? Alfa-Aesar
Melting_Point 114-116° Alfa-Aesar
MP 115 TCI
MP 115 °C Indofine
MP 140-142°C Indofine
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0825989A1; US4461761; US5854213; US6028079; WO1996022784A1; WO1996036617A1 IBM Patent Data

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