UCSF

ZINC08729967

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 4.83 2.3 -6.07 0 4 0 55 298.125 4

Vendor Notes

Note Type Comments Provided By
melting_point 9.000000000000000e+001 - 9.200000000000000e+001 KeyOrganics
melting_point 90 - 92 KeyOrganics
MP 90-92° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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