UCSF

ZINC01687062

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) 3.39 -1.39 -3.86 2 2 0 40 198.306 4

Vendor Notes

Note Type Comments Provided By
Boiling_Point 125-127?/3mm Alfa-Aesar
Boiling_Point 125-127°/3mm Alfa-Aesar
Melting_Point 67-70? Alfa-Aesar
Melting_Point 67-70° Alfa-Aesar

Activity (Go SEA)

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