UCSF

ZINC36532786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 10 No

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) 1.89 3.48 -9.33 0 2 0 30 155.584 1

Vendor Notes

Note Type Comments Provided By
MP 47 - 49 Enamine Building Blocks
MP 47...49 Enamine Building Blocks
melting_point 51 - 53 KeyOrganics
MP 51-53° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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