UCSF

ZINC19943120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 0.84 3.6 -86.31 2 4 2 15 258.454 0
Hi High (pH 8-9.5) 0.84 -0.62 -34.77 1 4 1 14 257.446 0
Hi High (pH 8-9.5) 0.84 -2.2 -1.1 0 4 0 13 256.438 0
Mid Mid (pH 6-8) 0.84 5.44 -190.22 3 4 3 17 259.462 0

Vendor Notes

Note Type Comments Provided By
mp 218 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 34-36? Alfa-Aesar
Melting_Point 34-36° Alfa-Aesar
Purity 97 Fluorochem

Activity (Go SEA)

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