UCSF

ZINC04553864

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 16 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) 2.77 4.99 -12.24 1 3 0 42 238.718 2
Mid Mid (pH 6-8) 2.84 3.31 -6.73 1 3 0 45 238.718 2

Vendor Notes

Note Type Comments Provided By
melting_point 132 - 134 KeyOrganics
MP 132...134 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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