UCSF

ZINC00169136

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 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) 2.15 -1.96 -7.24 2 3 0 49 220.055 1

Vendor Notes

Note Type Comments Provided By
melting_point 234 - 236 KeyOrganics
MP 234-236° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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