UCSF

ZINC53098690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.74 1.87 -6.92 3 4 0 73 209.245 5

Vendor Notes

Note Type Comments Provided By
MP 103 TCI
MP 103 °C Indofine
MP 166 TCI
Melting_Point 166-168? Alfa-Aesar
Melting_Point 166-168° Alfa-Aesar
MP 166-170 °C Indofine
Purity 95% Fluorochem
Purity 98% Fluorochem
Purity 99% min APIChem

Activity (Go SEA)

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