UCSF

ZINC00167784

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 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) -0.55 4.29 -13.15 2 5 0 69 135.13 0

Vendor Notes

Note Type Comments Provided By
MP 264 - 266 Enamine Building Blocks
MP 264...266 Enamine Building Blocks
melting_point 278 - 280 KeyOrganics
MP 278-280° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.