UCSF

ZINC21299016

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 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) -0.27 -0.55 -51.24 3 5 1 66 195.246 2
Hi High (pH 8-9.5) -0.27 -0.94 -10.91 2 5 0 64 194.238 2
Lo Low (pH 4.5-6) -0.27 -0.48 -105.47 4 5 2 67 196.254 2

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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