UCSF

ZINC39706458

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 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) 0.92 3.79 -123.18 4 4 2 46 249.358 2
Hi High (pH 8-9.5) 0.92 1.33 -3.95 2 4 0 37 247.342 2
Hi High (pH 8-9.5) 0.92 2.45 -37.32 3 4 1 41 248.35 2
Hi High (pH 8-9.5) 0.92 2.68 -39.78 3 4 1 41 248.35 2

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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