UCSF

ZINC00128920

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 15 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) 3.06 6.59 -50.18 0 3 -1 49 201.201 2
Hi High (pH 8-9.5) 3.01 6.62 -99.17 7 6 2 106 456.656 15

Vendor Notes

Note Type Comments Provided By
Melting_Point 192-194? Alfa-Aesar
Melting_Point 192-194° Alfa-Aesar
Purity 97% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

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