UCSF

ZINC06569133

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 23 No

CAS Numbers: 547-25-1 , [547-25-1]

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) -3.27 -16.12 -12.52 8 11 0 189 342.297 4

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 170? dec. Alfa-Aesar
Melting_Point ca 170° dec. Alfa-Aesar

Activity (Go SEA)

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