UCSF

ZINC22995891

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 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) -0.10 2.38 -59.43 0 7 -1 97 198.158 5

Vendor Notes

Note Type Comments Provided By
melting_point 1.900000000000000e+002 - 1.910000000000000e+002 KeyOrganics
melting_point 190 - 191 KeyOrganics
MP 190-191° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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