UCSF

ZINC01758758

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 10 Yes

CAS Numbers: 4254-29-9 , [4254-29-9]

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) 1.46 3.02 -3.92 1 1 0 20 134.178 0

Vendor Notes

Note Type Comments Provided By
BP 120 / 12 TCI
Boiling_Point 120-123?/12mm Alfa-Aesar
Boiling_Point 120-123°/12mm Alfa-Aesar
Melting_Point 67-72? Alfa-Aesar
Melting_Point 67-72° Alfa-Aesar
MP 70 TCI
Purity 95% Fluorochem
Purity 99%min APIChem
PUBCHEM_PATENT_ID EP1057827A1 IBM Patent Data
PUBCHEM_PATENT_ID US6136987 IBM Patent Data

Activity (Go SEA)

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