UCSF

ZINC00391899

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) -0.22 -1.46 -36.57 4 3 1 60 115.156 1
Hi High (pH 8-9.5) 2.63 8.06 -6.21 0 2 0 18 284.1 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 100-103? Alfa-Aesar
Melting_Point 100-103° Alfa-Aesar
MP 101-103° Oakwood Chemical
MP 168 - 170 Enamine Building Blocks
MP 168...170 Enamine Building Blocks
MP 170-182°C Indofine
MP 176-182o C Indofine
MP 30 - 32 Enamine Building Blocks
MP 30...32 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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