UCSF

ZINC01575385

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 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) 5.77 0.22 -3.4 0 0 0 0 301.263 4

Vendor Notes

Note Type Comments Provided By
Boiling_Point 193-195?/2mm Alfa-Aesar
Boiling_Point 193-195°/2mm Alfa-Aesar
Melting_Point 45-48? Alfa-Aesar
Melting_Point 45-48° Alfa-Aesar

Activity (Go SEA)

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