UCSF

ZINC04272216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 13 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) 2.16 2.24 -8.98 0 4 0 51 176.175 1

Vendor Notes

Note Type Comments Provided By
melting_point 169 - 171 KeyOrganics
MP 169-171° Matrix Scientific
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Purity 98% 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.