UCSF

ZINC22752494

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 12 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) 1.77 3.73 -36.39 2 2 1 20 171.308 4
Lo Low (pH 4.5-6) 1.77 5.65 -111.49 3 2 2 21 172.316 4
Lo Low (pH 4.5-6) 1.77 4.3 -30.22 2 2 1 16 171.308 4

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4022791 IBM Patent Data

Activity (Go SEA)

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