UCSF

ZINC39134840

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 9 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) 1.29 2.96 -5.97 1 2 0 25 142.227 1
Mid Mid (pH 6-8) 1.29 3.38 -23.27 2 2 1 26 143.235 1

Vendor Notes

Note Type Comments Provided By
melting_point 268 - 270 KeyOrganics
MP 268-270° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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