UCSF

ZINC03886415

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 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) 1.96 4.82 -6.38 3 3 0 55 226.279 3

Vendor Notes

Note Type Comments Provided By
melting_point 124 - 126 KeyOrganics
MP 125 - 127 Enamine Building Blocks
MP 125...127 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% )