UCSF

ZINC01383115

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 11 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) 0.91 2.73 -9.14 0 3 0 39 163.205 1
Lo Low (pH 4.5-6) 0.91 3.02 -40.09 1 3 1 40 164.213 1

Vendor Notes

Note Type Comments Provided By
melting_point 133 - 135 KeyOrganics
Purity 97% Fluorochem

Activity (Go SEA)

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

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