UCSF

ZINC08729975

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 2.49 -2.3 -9.18 1 3 0 32 231.082 1

Vendor Notes

Note Type Comments Provided By
melting_point 185 - 187 KeyOrganics
MP 185-187° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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