UCSF

ZINC19365428

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 10 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) 1.08 2.24 -37.9 2 2 1 20 143.254 3
Lo Low (pH 4.5-6) 1.08 4.54 -109.49 3 2 2 21 144.262 3
Lo Low (pH 4.5-6) 1.08 3.15 -30.79 2 2 1 16 143.254 3

Vendor Notes

Note Type Comments Provided By
BP 89-91°/10mm Oakwood Chemical
Purity 95% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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