UCSF

ZINC22995892

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 11 No

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) -0.90 4.7 -8.66 2 4 0 75 146.153 1
Mid Mid (pH 6-8) -0.90 4.63 -36.25 3 4 1 77 147.161 1
Mid Mid (pH 6-8) -0.90 3.82 -38.68 3 4 1 77 147.161 1
Lo Low (pH 4.5-6) -0.77 3.79 -43.71 3 4 1 74 147.161 2

Vendor Notes

Note Type Comments Provided By
melting_point 222 - 223 KeyOrganics
MP 222-223° Matrix Scientific
Purity 97% 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.