UCSF

ZINC02286529

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 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) 1.06 5.45 -11.33 0 3 0 39 185.182 1

Vendor Notes

Note Type Comments Provided By
MP 153 - 155 Enamine Building Blocks
MP 153...155 Enamine Building Blocks
melting_point 158 - 161 KeyOrganics
MP 158-161° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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