UCSF

ZINC52225061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 14 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) 2.75 6.19 -8.87 0 3 0 31 272.533 2

Vendor Notes

Note Type Comments Provided By
melting_point 1.420000000000000e+002 - 1.440000000000000e+002 KeyOrganics
melting_point 142 - 144 KeyOrganics
MP 142-144° Matrix Scientific
Purity 97% Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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