UCSF

ZINC01574339

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 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) 3.63 -3.25 -4.62 2 2 0 40 202.338 11

Vendor Notes

Note Type Comments Provided By
Boiling_Point 188-190?/12mm Alfa-Aesar
Boiling_Point 188-190°/12mm Alfa-Aesar
BP 189 / 12 TCI
Melting_Point 81-84? Alfa-Aesar
Melting_Point 81-84° Alfa-Aesar
MP 82 TCI
Purity 97% Fluorochem
PUBCHEM_PATENT_ID US5610294; WO1993007128A1; WO1994019329A1 IBM Patent Data

Activity (Go SEA)

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