UCSF

ZINC54962143

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 10 Yes

CAS Numbers: 1515-95-3 , [1515-95-3]

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) 2.91 5.23 -3.23 0 1 0 9 136.194 2

Vendor Notes

Note Type Comments Provided By
BP 195 TCI
Boiling_Point 195? Alfa-Aesar
Boiling_Point 195° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

Rings

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