UCSF

ZINC01698450

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 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) 3.08 1.31 -4.35 0 3 0 45 216.034 1

Vendor Notes

Note Type Comments Provided By
BP 143 / 17 TCI
Melting_Point 76-79? Alfa-Aesar
Melting_Point 76-79° Alfa-Aesar
MP 77 - 78 Enamine Building Blocks
MP 77...78 Enamine Building Blocks
MP 78 TCI
MP 78-80° Matrix Scientific
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% )