UCSF

ZINC14007818

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 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) 1.50 0.56 -5.73 3 2 0 46 202.051 1

Vendor Notes

Note Type Comments Provided By
MP 111-112° Oakwood Chemical
melting_point 114 - 115 KeyOrganics
MP 114-115° Matrix Scientific
Purity 95% Fluorochem
Purity 98% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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

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