UCSF

ZINC00394846

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 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) 2.41 1.75 -5.83 0 3 0 28 182.219 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 100-105?/1mm Alfa-Aesar
Boiling_Point 100-105°/1mm Alfa-Aesar
Melting_Point 27-28? Alfa-Aesar
Melting_Point 27-28° Alfa-Aesar
M.P 27-28°C Indofine
PUBCHEM_PATENT_ID WO1996040116A1; WO1998007695A1 IBM Patent Data

Activity (Go SEA)

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