UCSF

ZINC39646581

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 14 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) 2.49 5.9 -5.57 2 2 0 39 184.242 2
Lo Low (pH 4.5-6) 2.49 6.38 -30.89 3 2 1 40 185.25 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 133-137? Alfa-Aesar
Melting_Point 133-137° Alfa-Aesar

Activity (Go SEA)

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