UCSF

ZINC21303713

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 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) -1.04 -1.76 -14.12 4 5 0 87 154.173 1
Mid Mid (pH 6-8) -1.04 -1.67 -36.4 5 5 1 88 155.181 1

Vendor Notes

Note Type Comments Provided By
melting_point 203 - 205 KeyOrganics
MP 203-205° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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