UCSF

ZINC00168206

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 15 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) 0.79 4.87 -66.39 0 5 -1 76 209.177 5

Vendor Notes

Note Type Comments Provided By
melting_point 115 - 118 KeyOrganics
MP 115-118° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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