UCSF

ZINC01393736

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 12 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) 2.25 1.52 -7.25 0 1 0 17 160.216 1

Vendor Notes

Note Type Comments Provided By
BP 85 / 0.5 TCI
Boiling_Point 85-87?/0.05mm Alfa-Aesar
Boiling_Point 85-87°/0.05mm Alfa-Aesar
melting_point BP: (0.2mbar) 80 - 82 KeyOrganics

Activity (Go SEA)

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