UCSF

ZINC53993665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2010 11 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.94 2.54 -6.77 2 2 0 43 169.611 2

Vendor Notes

Note Type Comments Provided By
melting_point 2.620000000000000e+002 KeyOrganics KeyOrganics
MP 277 - 279 Enamine Building Blocks
MP 277...279 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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