UCSF

ZINC05224796

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 23 No

CAS Numbers: 57-50-1 , [8047-67-4]

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) -3.75 -19.33 -16.69 8 11 0 189 342.297 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 186-190? Alfa-Aesar
Melting_Point 186-190° Alfa-Aesar

Activity (Go SEA)

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