UCSF

ZINC23094052

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 11 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) 1.21 4.09 -106.98 3 2 2 21 156.273 1
Hi High (pH 8-9.5) 1.21 0.31 -1.05 1 2 0 15 154.257 1
Hi High (pH 8-9.5) 1.21 2.42 -28.95 2 2 1 16 155.265 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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