UCSF

ZINC39934065

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 16 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) 2.13 6 -129.26 4 2 2 33 214.312 1
Hi High (pH 8-9.5) 2.13 3.36 -3.77 2 2 0 24 212.296 1
Hi High (pH 8-9.5) 2.13 4.66 -40.05 3 2 1 29 213.304 1
Mid Mid (pH 6-8) 2.13 4.71 -42.71 3 2 1 29 213.304 1

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% )

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