UCSF

ZINC13471371

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 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) 0.60 2.89 -54.36 3 3 1 46 194.254 2

Vendor Notes

Note Type Comments Provided By
melting_point 75 - 78 KeyOrganics
MP 75-78° Matrix Scientific
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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