UCSF

ZINC00071486

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 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) 3.40 1.98 -9.3 0 2 0 26 212.248 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 149-150?/1mm Alfa-Aesar
Boiling_Point 149-150°/1mm Alfa-Aesar
Melting_Point 36-38? Alfa-Aesar
Melting_Point 36-38° Alfa-Aesar
M.P 36-38°C Indofine

Activity (Go SEA)

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