UCSF

ZINC00161996

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 1.63 5.21 -11.95 0 5 0 64 177.163 1

Vendor Notes

Note Type Comments Provided By
melting_point 117 - 119 KeyOrganics
Melting_Point 126-132? Alfa-Aesar
Melting_Point 126-132° Alfa-Aesar
MP 130-132° Matrix Scientific
Purity 95% 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.