UCSF

ZINC02164185

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 10 Yes

CAS Number: 5932-79-6

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) 3.55 -0.39 -1.6 1 1 0 20 144.258 6

Vendor Notes

Note Type Comments Provided By
Boiling_Point 192-195? Alfa-Aesar
Boiling_Point 192-195° Alfa-Aesar
BP 193 TCI
PUBCHEM_PATENT_ID US5817256 IBM Patent Data

Activity (Go SEA)

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