UCSF

ZINC02146936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 13 No

Download: MOL2 SDF SMILES Flexibase

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) 0.75 1.59 -10.42 3 4 0 64 180.207 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 124-127? Alfa-Aesar
Melting_Point 124-127° Alfa-Aesar
MP 126 - 128 Enamine Building Blocks
MP 126-128° Matrix Scientific
M.P 126-128°C Indofine
MP 126...128 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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