UCSF

ZINC04014623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 16 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) 2.40 6.64 -53.31 1 4 -1 73 220.248 3

Vendor Notes

Note Type Comments Provided By
melting_point 220 - 222 KeyOrganics
MP 220-222° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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