UCSF

ZINC00388255

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 8 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) 0.44 -1.18 -4.77 2 2 0 40 116.16 0

Vendor Notes

Note Type Comments Provided By
MP 100-102°C Fluorochem
Boiling_Point 118-120?/10mm Alfa-Aesar
Boiling_Point 118-120°/10mm Alfa-Aesar
Melting_Point 72-76? Alfa-Aesar
Melting_Point 72-76° Alfa-Aesar
Purity 98% Fluorochem

Activity (Go SEA)

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

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