UCSF

ZINC49478753

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 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) 0.03 1.91 -6.79 2 4 0 61 151.169 0
Lo Low (pH 4.5-6) 0.03 2.41 -32.54 3 4 1 62 152.177 0
Lo Low (pH 4.5-6) 0.03 2.35 -29.13 3 4 1 62 152.177 0

Vendor Notes

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

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.