UCSF

ZINC19230193

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 8 Yes

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Annotations

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) -1.59 -3.36 -7.19 3 4 0 73 119.12 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 130 - 135 Acros Organics
MP 134 - 136 Enamine Building Blocks
MP 134-136 °C(lit.) Indofine
MP 134...136 Enamine Building Blocks
MP 134° Oakwood Chemical
MP 136 TCI
Mp [°C] 163 - 166 Acros Organics
MP 163-166 °C(lit.) Indofine
Melting_Point 163-166? dec Alfa-Aesar
MP 163-166° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Melting_Point ca 134? dec. Alfa-Aesar
Melting_Point ca 134° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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