UCSF

ZINC12336279

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 17 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) 4.60 1.68 -7.8 0 2 0 37 283.545 1

Vendor Notes

Note Type Comments Provided By
melting_point 1.630000000000000e+002 - 1.660000000000000e+002 KeyOrganics
melting_point 163 - 166 KeyOrganics
MP 163-166° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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