UCSF

ZINC03909323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 12 Yes

CAS Numbers: 20780-76-1 , [20780-76-1]

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) 1.89 -1.65 -8.54 1 3 0 49 273.029 0

Vendor Notes

Note Type Comments Provided By
MP 285° Fluorochem
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity 98% Fluorochem
Melting_Point ca 276? dec. Alfa-Aesar
Melting_Point ca 276° dec. Alfa-Aesar

Activity (Go SEA)

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