UCSF

ZINC12336622

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 19 No

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) 4.65 0.55 -6.2 0 2 0 18 321.214 7

Vendor Notes

Note Type Comments Provided By
melting_point 6.100000000000000e+001 - 6.300000000000000e+001 KeyOrganics
melting_point 61 - 63 KeyOrganics
MP 61-63° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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