UCSF

ZINC00170428

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 19 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) 4.26 1.67 -49.73 0 3 -1 49 275.711 5

Vendor Notes

Note Type Comments Provided By
melting_point 8.700000000000000e+001 - 8.900000000000000e+001 KeyOrganics
melting_point 87 - 89 KeyOrganics
MP 87-89° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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