UCSF

ZINC00080873

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 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) 3.56 6.39 -50.52 1 3 -1 60 239.335 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 148-152? Alfa-Aesar
Melting_Point 148-152° Alfa-Aesar
Boiling_Point 180?/13mm Alfa-Aesar
Boiling_Point 180°/13mm Alfa-Aesar

Activity (Go SEA)

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