UCSF

ZINC01057145

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 10 Yes

CAS Number: 699-02-5

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) 2.19 3.37 -2.2 1 1 0 20 142.242 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 244-245? Alfa-Aesar
Boiling_Point 244-245° Alfa-Aesar
PUBCHEM_PATENT_ID WO1994025045A1; WO1994025050A1; WO1996022784A1 IBM Patent Data

Activity (Go SEA)

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