UCSF

ZINC04271721

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 14 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) 2.45 0.37 -8.38 0 3 0 39 207.254 3
Lo Low (pH 4.5-6) 2.45 0.46 -37.43 1 3 1 40 208.262 3

Vendor Notes

Note Type Comments Provided By
melting_point 61 - 63 KeyOrganics
MP 61-63° Matrix Scientific
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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