UCSF

ZINC04264643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 11 Yes

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) 2.48 2.45 -8.46 0 1 0 17 152.168 2

Vendor Notes

Note Type Comments Provided By
MP 29 - 30 Enamine Building Blocks
MP 29...30 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
Boiling_Point 94-96?/5mm Alfa-Aesar
BP 94-96°/4-5 Torr Matrix Scientific
Boiling_Point 94-96°/5mm Alfa-Aesar
purity 95 Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% APIChem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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